3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one

C18H17ClN2O2 — CID 18525193

IUPAC3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNCc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C18H17ClN2O2/c1-23-16-6-7-17-13(9-16)8-14(18(22)21-17)11-20-10-12-2-4-15(19)5-3-12/h2-9,20H,10-11H2,1H3,(H,21,22)
InChIKeyHFOUASBOWWTPKG-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds5

About 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one

3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 18525193) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID18525193
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNCc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C18H17ClN2O2/c1-23-16-6-7-17-13(9-16)8-14(18(22)21-17)11-20-10-12-2-4-15(19)5-3-12/h2-9,20H,10-11H2,1H3,(H,21,22)
InChIKeyHFOUASBOWWTPKG-UHFFFAOYSA-N
XLogP3.48
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324899
3-benzyl-1-[(4-chlorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430688
4-[[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]methyl]benzonitrile
CID 155527494
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
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-tert-butyl-1-(4-chlorophenyl)-5-[[(4-methoxyphenyl)methylamino]methyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135973769
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one (CID 18525193) is 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CNCc3ccc(Cl)cc3)cc2c1.
What is the InChIKey of 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is HFOUASBOWWTPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-23-16-6-7-17-13(9-16)8-14(18(22)21-17)11-20-10-12-2-4-15(19)5-3-12/h2-9,20H,10-11H2,1H3,(H,21,22).
What are the key properties of 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one?
3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 328.80 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 18525193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).