1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide

C24H21FN2O3 — CID 92881280

IUPAC1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(n(-c3ccc(F)cc3)c1=O)CCCC2=O)c1ccccc1
InChIInChI=1S/C24H21FN2O3/c1-15(16-6-3-2-4-7-16)26-23(29)20-14-19-21(8-5-9-22(19)28)27(24(20)30)18-12-10-17(25)11-13-18/h2-4,6-7,10-15H,5,8-9H2,1H3,(H,26,29)/t15-/m1/s1
InChIKeyLSSHZPKFFGOTGM-OAHLLOKOSA-N
MW404.44 g/mol
LogP3.99
Rot. Bonds4

About 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide

1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 92881280) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID92881280
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(n(-c3ccc(F)cc3)c1=O)CCCC2=O)c1ccccc1
InChIInChI=1S/C24H21FN2O3/c1-15(16-6-3-2-4-7-16)26-23(29)20-14-19-21(8-5-9-22(19)28)27(24(20)30)18-12-10-17(25)11-13-18/h2-4,6-7,10-15H,5,8-9H2,1H3,(H,26,29)/t15-/m1/s1
InChIKeyLSSHZPKFFGOTGM-OAHLLOKOSA-N
XLogP3.99
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 92881284
N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 126444591
2,5-dioxo-N,1-diphenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 2054310
N-butan-2-yl-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382852
N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382827
1-(4-chlorophenyl)-2,5-dioxo-N-phenacyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 23855524
N-[(1S)-1-phenylethyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 92703985
N-[1-(4-fluorophenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929735
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
3-methyl-2,4-dioxo-N-[(1R)-1-phenylethyl]-1H-pyrimidine-5-carboxamide
CID 95366506
3-methyl-2,4-dioxo-N-(1-phenylethyl)-1H-pyrimidine-5-carboxamide
CID 56766080
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 40792883

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide (CID 92881280) is 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide is C[C@@H](NC(=O)c1cc2c(n(-c3ccc(F)cc3)c1=O)CCCC2=O)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is LSSHZPKFFGOTGM-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-15(16-6-3-2-4-7-16)26-23(29)20-14-19-21(8-5-9-22(19)28)27(24(20)30)18-12-10-17(25)11-13-18/h2-4,6-7,10-15H,5,8-9H2,1H3,(H,26,29)/t15-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide?
1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,5-dioxo-N-[(1R)-1-phenylethyl]-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 92881280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).