N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C28H24FN3O2 — CID 2901464

IUPACN-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccncc2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C28H24FN3O2/c1-17-25(28(34)32-22-9-7-21(29)8-10-22)26(19-11-13-30-14-12-19)27-23(31-17)15-20(16-24(27)33)18-5-3-2-4-6-18/h2-14,20,26,31H,15-16H2,1H3,(H,32,34)
InChIKeyJFSMCVXNKWKQKR-UHFFFAOYSA-N
MW453.52 g/mol
LogP5.22
Rot. Bonds4

About N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2901464) has the molecular formula C28H24FN3O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID2901464
Molecular FormulaC28H24FN3O2
Molecular Weight453.52 g/mol
Exact Mass453.19
IUPAC NameN-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccncc2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C28H24FN3O2/c1-17-25(28(34)32-22-9-7-21(29)8-10-22)26(19-11-13-30-14-12-19)27-23(31-17)15-20(16-24(27)33)18-5-3-2-4-6-18/h2-14,20,26,31H,15-16H2,1H3,(H,32,34)
InChIKeyJFSMCVXNKWKQKR-UHFFFAOYSA-N
XLogP5.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 23861321
(4S,7S)-N-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848723
(4R,7S)-4-(4-chlorophenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1340122
(4S,7S)-N-(4-fluorophenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848632
(4S,7S)-N-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1024340
methyl 2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847626
(4R,7R)-N-(3-fluorophenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1340064
(4R,7R)-N-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848676
N-(2,6-difluorophenyl)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 2900101
N-(4-fluorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4919835
(4R,7S)-4-[4-(dimethylamino)phenyl]-N-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1024219
(4S,7S)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1024367

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2901464) is N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccncc2)C2=C(CC(c3ccccc3)CC2=O)N1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is JFSMCVXNKWKQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O2/c1-17-25(28(34)32-22-9-7-21(29)8-10-22)26(19-11-13-30-14-12-19)27-23(31-17)15-20(16-24(27)33)18-5-3-2-4-6-18/h2-14,20,26,31H,15-16H2,1H3,(H,32,34).
What are the key properties of N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2901464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).