1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide

C27H24FN3O3 — CID 118001712

IUPAC1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)cc2c(NC(=O)Cc3ccc(C)cc3)cccc21
InChIInChI=1S/C27H24FN3O3/c1-3-31-24-6-4-5-23(30-25(32)15-18-9-7-17(2)8-10-18)21(24)16-22(27(31)34)26(33)29-20-13-11-19(28)12-14-20/h4-14,16H,3,15H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyFVGQHRUWFUFDMF-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.90
Rot. Bonds6

About 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide

1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide (PubChem CID 118001712) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide
PubChem CID118001712
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC Name1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)cc2c(NC(=O)Cc3ccc(C)cc3)cccc21
InChIInChI=1S/C27H24FN3O3/c1-3-31-24-6-4-5-23(30-25(32)15-18-9-7-17(2)8-10-18)21(24)16-22(27(31)34)26(33)29-20-13-11-19(28)12-14-20/h4-14,16H,3,15H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyFVGQHRUWFUFDMF-UHFFFAOYSA-N
XLogP4.90
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
2-(4-fluorophenyl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767260
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide
CID 142731575
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide
CID 10297535
1-[(4-fluorophenyl)methoxy]-N-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 6710602
N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735668
2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904651
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 46352529
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762645

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide (CID 118001712) is 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(F)cc2)cc2c(NC(=O)Cc3ccc(C)cc3)cccc21.
What is the InChIKey of 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide?
The InChIKey is FVGQHRUWFUFDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-3-31-24-6-4-5-23(30-25(32)15-18-9-7-17(2)8-10-18)21(24)16-22(27(31)34)26(33)29-20-13-11-19(28)12-14-20/h4-14,16H,3,15H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide?
1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 118001712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).