(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C24H22N2O4 — CID 95073868

IUPAC(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccccc4)c(=O)[nH]c3C2)cc1
InChIInChI=1S/C24H22N2O4/c1-30-18-9-7-16(8-10-18)17-11-21-19(22(27)12-17)13-20(24(29)26-21)23(28)25-14-15-5-3-2-4-6-15/h2-10,13,17H,11-12,14H2,1H3,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyPSZBAMOVDIRTAI-KRWDZBQOSA-N
MW402.45 g/mol
LogP3.23
Rot. Bonds5

About (7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 95073868) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is (7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID95073868
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccccc4)c(=O)[nH]c3C2)cc1
InChIInChI=1S/C24H22N2O4/c1-30-18-9-7-16(8-10-18)17-11-21-19(22(27)12-17)13-20(24(29)26-21)23(28)25-14-15-5-3-2-4-6-15/h2-10,13,17H,11-12,14H2,1H3,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyPSZBAMOVDIRTAI-KRWDZBQOSA-N
XLogP3.23
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 93069126
(7R)-N-(3,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059046
N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 22426392
methyl 2-[[7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl]amino]benzoate
CID 53086104
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043613
N,N-diethyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495470
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082
N-cyclopentyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495462
(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51902313
methyl 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17036302
(7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073913

Frequently Asked Questions

What is the IUPAC name of (7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 95073868) is (7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is COc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccccc4)c(=O)[nH]c3C2)cc1.
What is the InChIKey of (7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is PSZBAMOVDIRTAI-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-30-18-9-7-16(8-10-18)17-11-21-19(22(27)12-17)13-20(24(29)26-21)23(28)25-14-15-5-3-2-4-6-15/h2-10,13,17H,11-12,14H2,1H3,(H,25,28)(H,26,29)/t17-/m0/s1.
What are the key properties of (7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 95073868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).