2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C19H17ClN2O3 — CID 100734852

IUPAC2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H17ClN2O3/c1-25-15-5-2-13(3-6-15)11-21-19(24)12-22-9-8-18(23)16-10-14(20)4-7-17(16)22/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyOICQRFOSFNXFBO-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.98
Rot. Bonds5

About 2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 100734852) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID100734852
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H17ClN2O3/c1-25-15-5-2-13(3-6-15)11-21-19(24)12-22-9-8-18(23)16-10-14(20)4-7-17(16)22/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyOICQRFOSFNXFBO-UHFFFAOYSA-N
XLogP2.98
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 100734816
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 100735074
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
CID 100736190
N-(3-acetamidophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100735847
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-4-oxoquinolin-1-yl)acetamide
CID 100743429
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2703067
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100734930

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 100734852) is 2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is OICQRFOSFNXFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-25-15-5-2-13(3-6-15)11-21-19(24)12-22-9-8-18(23)16-10-14(20)4-7-17(16)22/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of 2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 356.81 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 100734852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).