2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C18H15ClN2O3 — CID 110324907

IUPAC2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc2[nH]c(=O)c(CNC(=O)c3ccccc3Cl)cc2c1
InChIInChI=1S/C18H15ClN2O3/c1-24-13-6-7-16-11(9-13)8-12(17(22)21-16)10-20-18(23)14-4-2-3-5-15(14)19/h2-9H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeySPHVBOIBRAXCOO-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.12
Rot. Bonds4

About 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 110324907) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID110324907
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc2[nH]c(=O)c(CNC(=O)c3ccccc3Cl)cc2c1
InChIInChI=1S/C18H15ClN2O3/c1-24-13-6-7-16-11(9-13)8-12(17(22)21-16)10-20-18(23)14-4-2-3-5-15(14)19/h2-9H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeySPHVBOIBRAXCOO-UHFFFAOYSA-N
XLogP3.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 110324868
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 175658405
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110324969
2-(4-chlorophenoxy)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324899
N-[(2-chlorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459093
2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459108
N-[(2,3-dimethylphenyl)methyl]-6-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 167894443
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1427730
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 110324907) is 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc2[nH]c(=O)c(CNC(=O)c3ccccc3Cl)cc2c1.
What is the InChIKey of 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is SPHVBOIBRAXCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-24-13-6-7-16-11(9-13)8-12(17(22)21-16)10-20-18(23)14-4-2-3-5-15(14)19/h2-9H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 342.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 110324907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).