2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide

C25H19ClN2O4 — CID 18560102

IUPAC2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C25H19ClN2O4/c1-32-19-10-8-18(9-11-19)27-23(29)15-28-14-21(24(30)16-5-3-2-4-6-16)25(31)20-13-17(26)7-12-22(20)28/h2-14H,15H2,1H3,(H,27,29)
InChIKeyDQZVRFYNEOZFLE-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.53
Rot. Bonds6

About 2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide

2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 18560102) has the molecular formula C25H19ClN2O4 and a molecular weight of 446.89 g/mol. Its IUPAC name is 2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID18560102
Molecular FormulaC25H19ClN2O4
Molecular Weight446.89 g/mol
Exact Mass446.10
IUPAC Name2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C25H19ClN2O4/c1-32-19-10-8-18(9-11-19)27-23(29)15-28-14-21(24(30)16-5-3-2-4-6-16)25(31)20-13-17(26)7-12-22(20)28/h2-14H,15H2,1H3,(H,27,29)
InChIKeyDQZVRFYNEOZFLE-UHFFFAOYSA-N
XLogP4.53
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzoyl-6-methoxy-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 20868843
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 16825294
2-[6-chloro-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18560233
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(3-chlorophenyl)acetamide
CID 18560099
2-[6-chloro-3-(4-fluorobenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18560394
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2135589
N-(4-chlorophenyl)-2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 18560276
2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18560086
2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20868848
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000650

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide (CID 18560102) is 2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is DQZVRFYNEOZFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O4/c1-32-19-10-8-18(9-11-19)27-23(29)15-28-14-21(24(30)16-5-3-2-4-6-16)25(31)20-13-17(26)7-12-22(20)28/h2-14H,15H2,1H3,(H,27,29).
What are the key properties of 2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide?
2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 446.89 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 18560102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).