2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide

C25H18ClFN2O3 — CID 18560402

IUPAC2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C25H18ClFN2O3/c1-15-2-4-16(5-3-15)24(31)21-13-29(22-11-6-17(26)12-20(22)25(21)32)14-23(30)28-19-9-7-18(27)8-10-19/h2-13H,14H2,1H3,(H,28,30)
InChIKeyMEIBAWCJWWMJPN-UHFFFAOYSA-N
MW448.88 g/mol
LogP4.97
Rot. Bonds5

About 2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide

2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 18560402) has the molecular formula C25H18ClFN2O3 and a molecular weight of 448.88 g/mol. Its IUPAC name is 2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID18560402
Molecular FormulaC25H18ClFN2O3
Molecular Weight448.88 g/mol
Exact Mass448.10
IUPAC Name2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C25H18ClFN2O3/c1-15-2-4-16(5-3-15)24(31)21-13-29(22-11-6-17(26)12-20(22)25(21)32)14-23(30)28-19-9-7-18(27)8-10-19/h2-13H,14H2,1H3,(H,28,30)
InChIKeyMEIBAWCJWWMJPN-UHFFFAOYSA-N
XLogP4.97
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.88
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18560394
2-[6-chloro-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18560233
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000650
N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2135589
2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560579
N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825382
2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 18560102
N-(3,4-difluorophenyl)-2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2136558
2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 16825368
2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18560086
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
N-(3-chloro-4-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000663

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide (CID 18560402) is 2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide is Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(F)cc3)c3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of 2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is MEIBAWCJWWMJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN2O3/c1-15-2-4-16(5-3-15)24(31)21-13-29(22-11-6-17(26)12-20(22)25(21)32)14-23(30)28-19-9-7-18(27)8-10-19/h2-13H,14H2,1H3,(H,28,30).
What are the key properties of 2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 448.88 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 18560402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).