(4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide

C24H25N3O2 — CID 7499749

IUPAC(4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(C)cc2)C2C(=O)CCCC2=N1
InChIInChI=1S/C24H25N3O2/c1-14-7-10-17(11-8-14)22-21(24(29)27-20-12-9-15(2)13-25-20)16(3)26-18-5-4-6-19(28)23(18)22/h7-13,22-23H,4-6H2,1-3H3,(H,25,27,29)/t22-,23?/m1/s1
InChIKeyNGJLLPNDYKCHHT-WTQRLHSKSA-N
MW387.48 g/mol
LogP4.52
Rot. Bonds3

About (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide

(4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide (PubChem CID 7499749) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
PubChem CID7499749
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(C)cc2)C2C(=O)CCCC2=N1
InChIInChI=1S/C24H25N3O2/c1-14-7-10-17(11-8-14)22-21(24(29)27-20-12-9-15(2)13-25-20)16(3)26-18-5-4-6-19(28)23(18)22/h7-13,22-23H,4-6H2,1-3H3,(H,25,27,29)/t22-,23?/m1/s1
InChIKeyNGJLLPNDYKCHHT-WTQRLHSKSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
ethyl (4R,4aR)-2-methyl-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 7318493
(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
(4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 7307776
(4S,4aS)-4-(1,3-benzodioxol-5-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 11896081
(4S,4aS)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 6960424
5-(4-methylphenyl)-2-sulfanylidene-1,5,5a,7,8,9-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 91896207
methyl (4R,7R)-7-(4-chlorophenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 7182239
ethyl (4R)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 6981903
(4R)-2-methyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1223831
propan-2-yl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate
CID 6961422
(9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 7335044

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The IUPAC name of (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide (CID 7499749) is (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide.
What is the SMILES notation for (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The canonical SMILES for (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(C)cc2)C2C(=O)CCCC2=N1.
What is the InChIKey of (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The InChIKey is NGJLLPNDYKCHHT-WTQRLHSKSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-14-7-10-17(11-8-14)22-21(24(29)27-20-12-9-15(2)13-25-20)16(3)26-18-5-4-6-19(28)23(18)22/h7-13,22-23H,4-6H2,1-3H3,(H,25,27,29)/t22-,23?/m1/s1.
What are the key properties of (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
(4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide is sourced from PubChem (CID 7499749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).