(4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide

C20H23N3O4 — CID 7248030

IUPAC(4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C20H23N3O4/c1-11(24)21-12-4-6-13(7-5-12)22-19(27)14-8-17(26)23-15-9-20(2,3)10-16(25)18(14)15/h4-7,14H,8-10H2,1-3H3,(H,21,24)(H,22,27)(H,23,26)/t14-/m0/s1
InChIKeyCUBRZTDOLHZVHX-AWEZNQCLSA-N
MW369.42 g/mol
LogP2.36
Rot. Bonds3

About (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide

(4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide (PubChem CID 7248030) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
PubChem CID7248030
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C20H23N3O4/c1-11(24)21-12-4-6-13(7-5-12)22-19(27)14-8-17(26)23-15-9-20(2,3)10-16(25)18(14)15/h4-7,14H,8-10H2,1-3H3,(H,21,24)(H,22,27)(H,23,26)/t14-/m0/s1
InChIKeyCUBRZTDOLHZVHX-AWEZNQCLSA-N
XLogP2.36
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

(4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7394512
(4R)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7394509
(4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7247833
dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3161003
N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide
CID 3443810
N-[4-[(6S)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]phenyl]acetamide
CID 1094388
N-[4-[(4S)-3,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-4-yl]phenyl]acetamide
CID 1478031
N-(4-chlorophenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 4902647
(4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 7268859
7,7-dimethyl-4-(4-methylphenyl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 17285700
methyl (4S)-4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1091167
N-(4-acetamidophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23916671

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide (CID 7248030) is (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
The InChIKey is CUBRZTDOLHZVHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-11(24)21-12-4-6-13(7-5-12)22-19(27)14-8-17(26)23-15-9-20(2,3)10-16(25)18(14)15/h4-7,14H,8-10H2,1-3H3,(H,21,24)(H,22,27)(H,23,26)/t14-/m0/s1.
What are the key properties of (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
(4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 7248030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).