3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one

C17H15ClN2O2 — CID 25318984

IUPAC3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccccc3Cl)cc2c1
InChIInChI=1S/C17H15ClN2O2/c1-22-13-6-7-15-11(9-13)8-12(17(21)20-15)10-19-16-5-3-2-4-14(16)18/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyPQYFQWXIZAYFMH-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.80
Rot. Bonds4

About 3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one

3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 25318984) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID25318984
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3ccccc3Cl)cc2c1
InChIInChI=1S/C17H15ClN2O2/c1-22-13-6-7-15-11(9-13)8-12(17(21)20-15)10-19-16-5-3-2-4-14(16)18/h2-9,19H,10H2,1H3,(H,20,21)
InChIKeyPQYFQWXIZAYFMH-UHFFFAOYSA-N
XLogP3.80
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324907
1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110324969
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
N-[(2-chlorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459093
3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one
CID 18525193
N-(3-chloro-2-methylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331330
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
CID 107631320
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one (CID 25318984) is 3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CNc3ccccc3Cl)cc2c1.
What is the InChIKey of 3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is PQYFQWXIZAYFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-13-6-7-15-11(9-13)8-12(17(21)20-15)10-19-16-5-3-2-4-14(16)18/h2-9,19H,10H2,1H3,(H,20,21).
What are the key properties of 3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one?
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 314.77 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 25318984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).