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

C24H24ClN3O2 — CID 51408272

IUPAC(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](C)CC2=O)N1
InChIInChI=1S/C24H24ClN3O2/c1-13-11-18-23(19(29)12-13)22(16-7-9-17(25)10-8-16)21(15(3)27-18)24(30)28-20-6-4-5-14(2)26-20/h4-10,13,22,27H,11-12H2,1-3H3,(H,26,28,30)/t13-,22+/m0/s1
InChIKeyMXLOTMOFTFFFBD-WHEQGISXSA-N
MW421.93 g/mol
LogP4.90
Rot. Bonds3

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

(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51408272) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is (4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID51408272
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](C)CC2=O)N1
InChIInChI=1S/C24H24ClN3O2/c1-13-11-18-23(19(29)12-13)22(16-7-9-17(25)10-8-16)21(15(3)27-18)24(30)28-20-6-4-5-14(2)26-20/h4-10,13,22,27H,11-12H2,1-3H3,(H,26,28,30)/t13-,22+/m0/s1
InChIKeyMXLOTMOFTFFFBD-WHEQGISXSA-N
XLogP4.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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,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,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
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)-4-(4-chlorophenyl)-7-(furan-2-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51523823
(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
(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)-2,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408266
(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
(4S)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230507
(4R)-4-(4-bromophenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022569
4-(4-bromophenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4174216

Frequently Asked Questions

What is the IUPAC name of (4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (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) is (4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](C)CC2=O)N1.
What is the InChIKey of (4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is MXLOTMOFTFFFBD-WHEQGISXSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-13-11-18-23(19(29)12-13)22(16-7-9-17(25)10-8-16)21(15(3)27-18)24(30)28-20-6-4-5-14(2)26-20/h4-10,13,22,27H,11-12H2,1-3H3,(H,26,28,30)/t13-,22+/m0/s1.
What are the key properties of (4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S)-4-(4-chlorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51408272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).