2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

C26H20ClFN2O5 — CID 18560394

IUPAC2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(Cl)ccc32)cc1OC
InChIInChI=1S/C26H20ClFN2O5/c1-34-22-10-8-18(12-23(22)35-2)29-24(31)14-30-13-20(25(32)15-3-6-17(28)7-4-15)26(33)19-11-16(27)5-9-21(19)30/h3-13H,14H2,1-2H3,(H,29,31)
InChIKeyQNSYKIWFSWASMV-UHFFFAOYSA-N
MW494.91 g/mol
LogP4.68
Rot. Bonds7

About 2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide

2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 18560394) has the molecular formula C26H20ClFN2O5 and a molecular weight of 494.91 g/mol. Its IUPAC name is 2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID18560394
Molecular FormulaC26H20ClFN2O5
Molecular Weight494.91 g/mol
Exact Mass494.10
IUPAC Name2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(Cl)ccc32)cc1OC
InChIInChI=1S/C26H20ClFN2O5/c1-34-22-10-8-18(12-23(22)35-2)29-24(31)14-30-13-20(25(32)15-3-6-17(28)7-4-15)26(33)19-11-16(27)5-9-21(19)30/h3-13H,14H2,1-2H3,(H,29,31)
InChIKeyQNSYKIWFSWASMV-UHFFFAOYSA-N
XLogP4.68
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.91
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402
N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825384
2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20868848
2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2136553
2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 18560102
2-[6-chloro-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18560233
N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855
N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2135589
N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2136501
N-(4-chlorophenyl)-2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2141192
N-(3,4-difluorophenyl)-2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2136558

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 18560394) is 2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(Cl)ccc32)cc1OC.
What is the InChIKey of 2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QNSYKIWFSWASMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN2O5/c1-34-22-10-8-18(12-23(22)35-2)29-24(31)14-30-13-20(25(32)15-3-6-17(28)7-4-15)26(33)19-11-16(27)5-9-21(19)30/h3-13H,14H2,1-2H3,(H,29,31).
What are the key properties of 2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 494.91 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 18560394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).