(4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

C24H23FN2O2 — CID 6970013

IUPAC(4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
SMILESCC1=NC2=C(C(=O)CCC2)[C@H](c2ccc(F)cc2)C1C(=O)Nc1ccccc1C
InChIInChI=1S/C24H23FN2O2/c1-14-6-3-4-7-18(14)27-24(29)21-15(2)26-19-8-5-9-20(28)23(19)22(21)16-10-12-17(25)13-11-16/h3-4,6-7,10-13,21-22H,5,8-9H2,1-2H3,(H,27,29)/t21?,22-/m1/s1
InChIKeyAOEOBVZJYLBAKH-FOIFJWKZSA-N
MW390.46 g/mol
LogP4.95
Rot. Bonds3

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

(4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (PubChem CID 6970013) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
PubChem CID6970013
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name(4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
SMILESCC1=NC2=C(C(=O)CCC2)[C@H](c2ccc(F)cc2)C1C(=O)Nc1ccccc1C
InChIInChI=1S/C24H23FN2O2/c1-14-6-3-4-7-18(14)27-24(29)21-15(2)26-19-8-5-9-20(28)23(19)22(21)16-10-12-17(25)13-11-16/h3-4,6-7,10-13,21-22H,5,8-9H2,1-2H3,(H,27,29)/t21?,22-/m1/s1
InChIKeyAOEOBVZJYLBAKH-FOIFJWKZSA-N
XLogP4.95
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

(4R)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 6970012
(4R)-4-(4-hydroxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7447416
(4R)-N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 6981097
(4S)-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7447331
2,7,7-trimethyl-N-(2-methylphenyl)-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide
CID 78587090
(3R,4S)-4-(9-ethylcarbazol-3-yl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7029689
2-phenylethyl (4R)-4-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967676
(4S)-4-(4-chlorophenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7449117
(4S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7307810
(4S)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7894791
methyl (4S)-2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6960447
methyl (4R)-4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6936394

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The IUPAC name of (4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (CID 6970013) is (4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is CC1=NC2=C(C(=O)CCC2)[C@H](c2ccc(F)cc2)C1C(=O)Nc1ccccc1C.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The InChIKey is AOEOBVZJYLBAKH-FOIFJWKZSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-14-6-3-4-7-18(14)27-24(29)21-15(2)26-19-8-5-9-20(28)23(19)22(21)16-10-12-17(25)13-11-16/h3-4,6-7,10-13,21-22H,5,8-9H2,1-2H3,(H,27,29)/t21?,22-/m1/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
(4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is sourced from PubChem (CID 6970013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).