N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide

C25H19FN2O3S — CID 118001743

IUPACN-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide
SMILESCSc1ccc(C(=O)n2c(=O)c(C(=O)NCc3ccc(F)cc3)cc3ccccc32)cc1
InChIInChI=1S/C25H19FN2O3S/c1-32-20-12-8-17(9-13-20)24(30)28-22-5-3-2-4-18(22)14-21(25(28)31)23(29)27-15-16-6-10-19(26)11-7-16/h2-14H,15H2,1H3,(H,27,29)
InChIKeySBZXAQPKHRWNNZ-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.48
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide (PubChem CID 118001743) has the molecular formula C25H19FN2O3S and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide
PubChem CID118001743
Molecular FormulaC25H19FN2O3S
Molecular Weight446.50 g/mol
Exact Mass446.11
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide
SMILESCSc1ccc(C(=O)n2c(=O)c(C(=O)NCc3ccc(F)cc3)cc3ccccc32)cc1
InChIInChI=1S/C25H19FN2O3S/c1-32-20-12-8-17(9-13-20)24(30)28-22-5-3-2-4-18(22)14-21(25(28)31)23(29)27-15-16-6-10-19(26)11-7-16/h2-14H,15H2,1H3,(H,27,29)
InChIKeySBZXAQPKHRWNNZ-UHFFFAOYSA-N
XLogP4.48
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-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-methylsulfanylphenyl)methyl]indole-1-carboxamide
CID 171536191
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 20884947
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943829
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635
N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide
CID 142731810
2-[(2-ethylphenyl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 145369108
3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 47380861
N-[(4-methylsulfanylphenyl)methyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324801
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 3642555

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide (CID 118001743) is N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide is CSc1ccc(C(=O)n2c(=O)c(C(=O)NCc3ccc(F)cc3)cc3ccccc32)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is SBZXAQPKHRWNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O3S/c1-32-20-12-8-17(9-13-20)24(30)28-22-5-3-2-4-18(22)14-21(25(28)31)23(29)27-15-16-6-10-19(26)11-7-16/h2-14H,15H2,1H3,(H,27,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 118001743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).