(4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide

C24H24N2O4 — CID 7354467

IUPAC(4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
SMILESCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C24H24N2O4/c1-14-4-3-5-17(10-14)25-24(29)19-13-22(28)26-20-11-16(12-21(27)23(19)20)15-6-8-18(30-2)9-7-15/h3-10,16,19H,11-13H2,1-2H3,(H,25,29)(H,26,28)/t16-,19+/m0/s1
InChIKeySHFIBXQYAPCSHR-QFBILLFUSA-N
MW404.47 g/mol
LogP3.48
Rot. Bonds4

About (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide

(4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide (PubChem CID 7354467) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
PubChem CID7354467
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
SMILESCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C24H24N2O4/c1-14-4-3-5-17(10-14)25-24(29)19-13-22(28)26-20-11-16(12-21(27)23(19)20)15-6-8-18(30-2)9-7-15/h3-10,16,19H,11-13H2,1-2H3,(H,25,29)(H,26,28)/t16-,19+/m0/s1
InChIKeySHFIBXQYAPCSHR-QFBILLFUSA-N
XLogP3.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 4902647
(4S,7R)-7-(4-methoxyphenyl)-4-(3-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645201
(4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 7268859
methyl (4S,7S)-4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1113071
methyl (4S,7S)-7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1118844
methyl (4S,7R)-4-(2-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1002578
6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 20842916
7-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062332
(4R,7S)-4-(3-chlorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645200
4-(3-fluorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060683
4-(3-chlorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060689
methyl (4S,7R)-4-(3-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1123405

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
The IUPAC name of (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide (CID 7354467) is (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide.
What is the SMILES notation for (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
The canonical SMILES for (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide is COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
The InChIKey is SHFIBXQYAPCSHR-QFBILLFUSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-14-4-3-5-17(10-14)25-24(29)19-13-22(28)26-20-11-16(12-21(27)23(19)20)15-6-8-18(30-2)9-7-15/h3-10,16,19H,11-13H2,1-2H3,(H,25,29)(H,26,28)/t16-,19+/m0/s1.
What are the key properties of (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
(4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide is sourced from PubChem (CID 7354467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).