(4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide

C24H25N3O2 — CID 7425701

IUPAC(4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2C)C2C(=O)C[C@H](C)CC2=N1
InChIInChI=1S/C24H25N3O2/c1-14-12-18-23(19(28)13-14)22(17-9-5-4-8-15(17)2)21(16(3)26-18)24(29)27-20-10-6-7-11-25-20/h4-11,14,22-23H,12-13H2,1-3H3,(H,25,27,29)/t14-,22+,23?/m1/s1
InChIKeyLWVBCXOXSLQRPT-IUFPCKGZSA-N
MW387.48 g/mol
LogP4.46
Rot. Bonds3

About (4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide

(4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide (PubChem CID 7425701) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
PubChem CID7425701
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2C)C2C(=O)C[C@H](C)CC2=N1
InChIInChI=1S/C24H25N3O2/c1-14-12-18-23(19(28)13-14)22(17-9-5-4-8-15(17)2)21(16(3)26-18)24(29)27-20-10-6-7-11-25-20/h4-11,14,22-23H,12-13H2,1-3H3,(H,25,27,29)/t14-,22+,23?/m1/s1
InChIKeyLWVBCXOXSLQRPT-IUFPCKGZSA-N
XLogP4.46
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4R,7S)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 7425700
(4R,7S)-4-(3-fluorophenyl)-2,7-dimethyl-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 7425752
(4S,4aR,7R)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 11899724
4-(2-chlorophenyl)-2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxamide
CID 91097255
(4S,7S)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408244
(4S)-2,7,7-trimethyl-N,4-bis(2-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide
CID 6970655
(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
(4R,7R)-2,7-dimethyl-4-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51650072
(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
(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
(4R,4aS)-4-(4-fluorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 11896252
(15R,16S)-16-methyl-N-pyridin-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10903934

Frequently Asked Questions

What is the IUPAC name of (4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The IUPAC name of (4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide (CID 7425701) is (4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide.
What is the SMILES notation for (4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The canonical SMILES for (4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2C)C2C(=O)C[C@H](C)CC2=N1.
What is the InChIKey of (4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The InChIKey is LWVBCXOXSLQRPT-IUFPCKGZSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-14-12-18-23(19(28)13-14)22(17-9-5-4-8-15(17)2)21(16(3)26-18)24(29)27-20-10-6-7-11-25-20/h4-11,14,22-23H,12-13H2,1-3H3,(H,25,27,29)/t14-,22+,23?/m1/s1.
What are the key properties of (4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
(4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide is sourced from PubChem (CID 7425701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).