2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide

C17H13ClN2O2 — CID 1485809

IUPAC2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide
SMILESCn1cc(-c2ccccc2C(N)=O)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H13ClN2O2/c1-20-9-14(11-4-2-3-5-12(11)17(19)22)16(21)13-8-10(18)6-7-15(13)20/h2-9H,1H3,(H2,19,22)
InChIKeyQHVPEKUGQGGDKN-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.96
Rot. Bonds2

About 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide

2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide (PubChem CID 1485809) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide.

Molecular Properties

Compound Name2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide
PubChem CID1485809
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide
SMILESCn1cc(-c2ccccc2C(N)=O)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H13ClN2O2/c1-20-9-14(11-4-2-3-5-12(11)17(19)22)16(21)13-8-10(18)6-7-15(13)20/h2-9H,1H3,(H2,19,22)
InChIKeyQHVPEKUGQGGDKN-UHFFFAOYSA-N
XLogP2.96
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide?
The IUPAC name of 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide (CID 1485809) is 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide.
What is the SMILES notation for 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide?
The canonical SMILES for 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide is Cn1cc(-c2ccccc2C(N)=O)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide?
The InChIKey is QHVPEKUGQGGDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-20-9-14(11-4-2-3-5-12(11)17(19)22)16(21)13-8-10(18)6-7-15(13)20/h2-9H,1H3,(H2,19,22).
What are the key properties of 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide?
2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide has a molecular weight of 312.76 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzamide is sourced from PubChem (CID 1485809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).