AI57033
848139-78-6 | 6-Amino-4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-7-ethoxyquinoline-3-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI57033
ChemicalName
6-Amino-4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-7-ethoxyquinoline-3-carbonitrile
CasNumber
848139-78-6
MolecularFormula
C24H20ClN5O2
MolecularWeight
445.9009
MdlNumber
MFCD12032114
Smiles
CCOc1cc2ncc(c(c2cc1N)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N
Complexity
645
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
4.7
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CatalogNumber: AI57033
ChemicalName: 6-Amino-4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-7-ethoxyquinoline-3-carbonitrile
CasNumber: 848139-78-6
MolecularFormula: C24H20ClN5O2
MolecularWeight: 445.9009
MdlNumber: MFCD12032114
Smiles: CCOc1cc2ncc(c(c2cc1N)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N
Complexity: 645
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 4.7
CatalogNumber:
AI57033
ChemicalName:
6-Amino-4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-7-ethoxyquinoline-3-carbonitrile
CasNumber:
848139-78-6
MolecularFormula:
C24H20ClN5O2
MolecularWeight:
445.9009
MdlNumber:
MFCD12032114
Smiles:
CCOc1cc2ncc(c(c2cc1N)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N
Complexity:
645
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
4.7
CatalogNumber: AI57035
ChemicalName: 5-Methanesulfonylpyridine-2-carbonitrile
CasNumber: 848141-13-9
MolecularFormula: C7H6N2O2S
MolecularWeight: 182.1997
MdlNumber: MFCD26395889
Smiles: N#Cc1ccc(cn1)S(=O)(=O)C
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AI57035
ChemicalName:
5-Methanesulfonylpyridine-2-carbonitrile
CasNumber:
848141-13-9
MolecularFormula:
C7H6N2O2S
MolecularWeight:
182.1997
MdlNumber:
MFCD26395889
Smiles:
N#Cc1ccc(cn1)S(=O)(=O)C
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: AI57036
ChemicalName: ([5-(Methylsulfonyl)pyridin-2-yl]methyl)amine hydrochloride
CasNumber: 848141-14-0
MolecularFormula: C7H11ClN2O2S
MolecularWeight: 222.69244
MdlNumber: MFCD26395890
Smiles: NCc1ccc(cn1)S(=O)(=O)C.Cl
Complexity: 232
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AI57036
ChemicalName:
([5-(Methylsulfonyl)pyridin-2-yl]methyl)amine hydrochloride
CasNumber:
848141-14-0
MolecularFormula:
C7H11ClN2O2S
MolecularWeight:
222.69244
MdlNumber:
MFCD26395890
Smiles:
NCc1ccc(cn1)S(=O)(=O)C.Cl
Complexity:
232
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)c1ccc(c(c1)O)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)c1ccc(c(c1)O)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__