(4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide

C25H25FN2O2 — CID 7307776

IUPAC(4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
SMILESCCc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)N=C3CCCC(=O)C32)cc1
InChIInChI=1S/C25H25FN2O2/c1-3-16-7-9-17(10-8-16)23-22(25(30)28-19-13-11-18(26)12-14-19)15(2)27-20-5-4-6-21(29)24(20)23/h7-14,23-24H,3-6H2,1-2H3,(H,28,30)/t23-,24?/m1/s1
InChIKeyXNQXEYONNKICJW-MIHMCVIASA-N
MW404.49 g/mol
LogP5.21
Rot. Bonds4

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

(4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide (PubChem CID 7307776) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is (4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
PubChem CID7307776
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name(4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
SMILESCCc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)N=C3CCCC(=O)C32)cc1
InChIInChI=1S/C25H25FN2O2/c1-3-16-7-9-17(10-8-16)23-22(25(30)28-19-13-11-18(26)12-14-19)15(2)27-20-5-4-6-21(29)24(20)23/h7-14,23-24H,3-6H2,1-2H3,(H,28,30)/t23-,24?/m1/s1
InChIKeyXNQXEYONNKICJW-MIHMCVIASA-N
XLogP5.21
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4R,4aS)-4-(4-fluorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 11896252
2-phenylethyl (4R)-2-methyl-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 6967741
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
(4S)-N,4-bis(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 962637
1-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53336336
propyl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 91053175
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
methyl (4R)-4-(2-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 7426711
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
9-(4-ethylphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656662
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The IUPAC name of (4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide (CID 7307776) is (4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide.
What is the SMILES notation for (4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The canonical SMILES for (4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide is CCc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)N=C3CCCC(=O)C32)cc1.
What is the InChIKey of (4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The InChIKey is XNQXEYONNKICJW-MIHMCVIASA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-3-16-7-9-17(10-8-16)23-22(25(30)28-19-13-11-18(26)12-14-19)15(2)27-20-5-4-6-21(29)24(20)23/h7-14,23-24H,3-6H2,1-2H3,(H,28,30)/t23-,24?/m1/s1.
What are the key properties of (4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
(4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide is sourced from PubChem (CID 7307776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).