8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide

C11H9ClN2O2 — CID 53016607

IUPAC8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H9ClN2O2/c1-13-11(16)7-5-9(15)14-10-6(7)3-2-4-8(10)12/h2-5H,1H3,(H,13,16)(H,14,15)
InChIKeySQLLBUZGVGRLSO-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.54
Rot. Bonds1

About 8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide

8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 53016607) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID53016607
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H9ClN2O2/c1-13-11(16)7-5-9(15)14-10-6(7)3-2-4-8(10)12/h2-5H,1H3,(H,13,16)(H,14,15)
InChIKeySQLLBUZGVGRLSO-UHFFFAOYSA-N
XLogP1.54
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide (CID 53016607) is 8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide is CNC(=O)c1cc(=O)[nH]c2c(Cl)cccc12.
What is the InChIKey of 8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is SQLLBUZGVGRLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-13-11(16)7-5-9(15)14-10-6(7)3-2-4-8(10)12/h2-5H,1H3,(H,13,16)(H,14,15).
What are the key properties of 8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-methyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 53016607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).