N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide

C18H15ClN2O2 — CID 4909129

IUPACN-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C
InChIInChI=1S/C18H15ClN2O2/c1-11(22)20-18-16(12-7-9-13(19)10-8-12)17(23)14-5-3-4-6-15(14)21(18)2/h3-10H,1-2H3,(H,20,22)
InChIKeyYCPBMKBFGRJSCC-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.82
Rot. Bonds2

About N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide

N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide (PubChem CID 4909129) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide
PubChem CID4909129
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C
InChIInChI=1S/C18H15ClN2O2/c1-11(22)20-18-16(12-7-9-13(19)10-8-12)17(23)14-5-3-4-6-15(14)21(18)2/h3-10H,1-2H3,(H,20,22)
InChIKeyYCPBMKBFGRJSCC-UHFFFAOYSA-N
XLogP3.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide (CID 4909129) is N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide is CC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide?
The InChIKey is YCPBMKBFGRJSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11(22)20-18-16(12-7-9-13(19)10-8-12)17(23)14-5-3-4-6-15(14)21(18)2/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide?
N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide has a molecular weight of 326.78 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]acetamide is sourced from PubChem (CID 4909129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).