N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide

C18H15ClN2O2 — CID 11727151

IUPACN-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C18H15ClN2O2/c1-11(22)20-17-16(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)21(2)18(17)23/h3-10H,1-2H3,(H,20,22)
InChIKeyYKJZOCCSOQGQLF-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.82
Rot. Bonds2

About N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide

N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide (PubChem CID 11727151) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
PubChem CID11727151
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)c2cc(Cl)ccc2n(C)c1=O
InChIInChI=1S/C18H15ClN2O2/c1-11(22)20-17-16(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)21(2)18(17)23/h3-10H,1-2H3,(H,20,22)
InChIKeyYKJZOCCSOQGQLF-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-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide?
The IUPAC name of N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide (CID 11727151) is N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide.
What is the SMILES notation for N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide?
The canonical SMILES for N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide is CC(=O)Nc1c(-c2ccccc2)c2cc(Cl)ccc2n(C)c1=O.
What is the InChIKey of N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide?
The InChIKey is YKJZOCCSOQGQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11(22)20-17-16(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)21(2)18(17)23/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide?
N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-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-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide is sourced from PubChem (CID 11727151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).