2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile

C23H14ClN5OS — CID 71597146

IUPAC2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
SMILESCOc1ccc2nc(Cl)c(-c3c(C#N)c(N)nc(Sc4ccccc4)c3C#N)cc2c1
InChIInChI=1S/C23H14ClN5OS/c1-30-14-7-8-19-13(9-14)10-16(21(24)28-19)20-17(11-25)22(27)29-23(18(20)12-26)31-15-5-3-2-4-6-15/h2-10H,1H3,(H2,27,29)
InChIKeyAPZJMVJPRKSXQE-UHFFFAOYSA-N
MW443.92 g/mol
LogP5.44
Rot. Bonds4

About 2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile

2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 71597146) has the molecular formula C23H14ClN5OS and a molecular weight of 443.92 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID71597146
Molecular FormulaC23H14ClN5OS
Molecular Weight443.92 g/mol
Exact Mass443.06
IUPAC Name2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
SMILESCOc1ccc2nc(Cl)c(-c3c(C#N)c(N)nc(Sc4ccccc4)c3C#N)cc2c1
InChIInChI=1S/C23H14ClN5OS/c1-30-14-7-8-19-13(9-14)10-16(21(24)28-19)20-17(11-25)22(27)29-23(18(20)12-26)31-15-5-3-2-4-6-15/h2-10H,1H3,(H2,27,29)
InChIKeyAPZJMVJPRKSXQE-UHFFFAOYSA-N
XLogP5.44
TPSA108.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.92
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11349923
2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11361402
2-amino-4-(furan-2-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 28621951
2-amino-6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58740095
2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline
CID 2777722
2-amino-4-(4-methylphenyl)-6-(4-methylphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 102234389
2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 154585292
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
methyl 4-[2-amino-6-(3-chlorophenyl)sulfanyl-3,5-dicyano-4-pyridinyl]benzoate
CID 11611503
2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3557233
3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine
CID 102988705
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile (CID 71597146) is 2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile is COc1ccc2nc(Cl)c(-c3c(C#N)c(N)nc(Sc4ccccc4)c3C#N)cc2c1.
What is the InChIKey of 2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is APZJMVJPRKSXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN5OS/c1-30-14-7-8-19-13(9-14)10-16(21(24)28-19)20-17(11-25)22(27)29-23(18(20)12-26)31-15-5-3-2-4-6-15/h2-10H,1H3,(H2,27,29).
What are the key properties of 2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 443.92 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 71597146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).