3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide

C20H16F2N2O2 — CID 53411520

IUPAC3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
SMILESCC(=CC(=O)Nc1ccc(F)cc1)c1c(C)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C20H16F2N2O2/c1-11(9-18(25)24-15-6-3-13(21)4-7-15)19-12(2)23-17-8-5-14(22)10-16(17)20(19)26/h3-10H,1-2H3,(H,23,26)(H,24,25)
InChIKeyCARZQIACBHGQCP-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.16
Rot. Bonds3

About 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide

3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide (PubChem CID 53411520) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide.

Molecular Properties

Compound Name3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
PubChem CID53411520
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
SMILESCC(=CC(=O)Nc1ccc(F)cc1)c1c(C)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C20H16F2N2O2/c1-11(9-18(25)24-15-6-3-13(21)4-7-15)19-12(2)23-17-8-5-14(22)10-16(17)20(19)26/h3-10H,1-2H3,(H,23,26)(H,24,25)
InChIKeyCARZQIACBHGQCP-UHFFFAOYSA-N
XLogP4.16
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide 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

(E)-3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
CID 46739161
N-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 45258699
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide
CID 110613684
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 9252974
N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 86857821
3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one
CID 171365735
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110860042
N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849741
N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 136996107

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide?
The IUPAC name of 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide (CID 53411520) is 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide.
What is the SMILES notation for 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide?
The canonical SMILES for 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide is CC(=CC(=O)Nc1ccc(F)cc1)c1c(C)[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide?
The InChIKey is CARZQIACBHGQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-11(9-18(25)24-15-6-3-13(21)4-7-15)19-12(2)23-17-8-5-14(22)10-16(17)20(19)26/h3-10H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide?
3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide has a molecular weight of 354.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide is sourced from PubChem (CID 53411520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).