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

C18H19FN2O3 — CID 7394512

IUPAC(4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-18(2)8-13-16(14(22)9-18)12(7-15(23)21-13)17(24)20-11-5-3-10(19)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m0/s1
InChIKeyVMWNHAJTFPUPAH-LBPRGKRZSA-N
MW330.36 g/mol
LogP2.54
Rot. Bonds2

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

(4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide (PubChem CID 7394512) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
PubChem CID7394512
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-18(2)8-13-16(14(22)9-18)12(7-15(23)21-13)17(24)20-11-5-3-10(19)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m0/s1
InChIKeyVMWNHAJTFPUPAH-LBPRGKRZSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4R)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7394509
(4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7248030
(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-fluorophenyl)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2949258
N-(4-fluorophenyl)-2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3475823
N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide
CID 3443810
(4S)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 30135373
N-(4-tert-butylsulfanylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 166183509
(4R)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1340169
(4S)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1023452
2-[2-bromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 126369645

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide (CID 7394512) is (4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide is CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
The InChIKey is VMWNHAJTFPUPAH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(2)8-13-16(14(22)9-18)12(7-15(23)21-13)17(24)20-11-5-3-10(19)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,20,24)(H,21,23)/t12-/m0/s1.
What are the key properties of (4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide?
(4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 7394512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).