(4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C23H24N4O2 — CID 28588264

IUPAC(4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccnc2)C2=C(C[C@H](C)CC2=O)N1
InChIInChI=1S/C23H24N4O2/c1-13-10-17-22(18(28)11-13)21(16-7-5-9-24-12-16)20(15(3)26-17)23(29)27-19-8-4-6-14(2)25-19/h4-9,12-13,21,26H,10-11H2,1-3H3,(H,25,27,29)/t13-,21+/m0/s1
InChIKeyVTJWJIFDCLPSOY-YEJXKQKISA-N
MW388.47 g/mol
LogP3.64
Rot. Bonds3

About (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 28588264) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID28588264
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccnc2)C2=C(C[C@H](C)CC2=O)N1
InChIInChI=1S/C23H24N4O2/c1-13-10-17-22(18(28)11-13)21(16-7-5-9-24-12-16)20(15(3)26-17)23(29)27-19-8-4-6-14(2)25-19/h4-9,12-13,21,26H,10-11H2,1-3H3,(H,25,27,29)/t13-,21+/m0/s1
InChIKeyVTJWJIFDCLPSOY-YEJXKQKISA-N
XLogP3.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408272
4-(3-methoxyphenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3164880
(4S,7R)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1307964
(4R,7R)-4-[4-(dimethylamino)phenyl]-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 28588260
(4S)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230507
(4S,7S)-4-(3-methoxy-4-prop-2-enoxyphenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51523852
(4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408287
(4R,7R)-2-methyl-N-(6-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92844679
(4R,7R)-2,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408266
(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408269
(4S,7R)-4-[4-(dimethylamino)phenyl]-2,7-dimethyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51403018
(4S,7R)-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 979062

Frequently Asked Questions

What is the IUPAC name of (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 28588264) is (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccnc2)C2=C(C[C@H](C)CC2=O)N1.
What is the InChIKey of (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is VTJWJIFDCLPSOY-YEJXKQKISA-N. The full InChI is InChI=1S/C23H24N4O2/c1-13-10-17-22(18(28)11-13)21(16-7-5-9-24-12-16)20(15(3)26-17)23(29)27-19-8-4-6-14(2)25-19/h4-9,12-13,21,26H,10-11H2,1-3H3,(H,25,27,29)/t13-,21+/m0/s1.
What are the key properties of (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 28588264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).