3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one

C12H12ClNO2 — CID 4914636

IUPAC3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one
SMILESCOc1cccc2cc(CCl)c(=O)n(C)c12
InChIInChI=1S/C12H12ClNO2/c1-14-11-8(4-3-5-10(11)16-2)6-9(7-13)12(14)15/h3-6H,7H2,1-2H3
InChIKeyINIBQLBWYIWNKX-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.29
Rot. Bonds2

About 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one

3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one (PubChem CID 4914636) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one
PubChem CID4914636
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one
SMILESCOc1cccc2cc(CCl)c(=O)n(C)c12
InChIInChI=1S/C12H12ClNO2/c1-14-11-8(4-3-5-10(11)16-2)6-9(7-13)12(14)15/h3-6H,7H2,1-2H3
InChIKeyINIBQLBWYIWNKX-UHFFFAOYSA-N
XLogP2.29
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-methoxy-1-methyl-2-oxoquinolin-3-yl)acetonitrile
CID 84625419
3-(2-aminopropyl)-8-methoxy-1-methylquinolin-2-one
CID 84632285
7-methoxy-1,2-dimethylindole
CID 82279889
8-methoxy-1-methylquinolin-2-one
CID 742791
2-ethyl-7-methoxy-1-methylindole
CID 84662166
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444106
1-(7-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 83859915
3-(chloromethyl)-1-ethylquinolin-2-one
CID 18801760
N-tert-butyl-7-methoxy-1-methylindole-2-carboxamide
CID 110855334
8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one
CID 10245385
2,3-bis(chloromethyl)-6,7-dimethoxynaphthalene
CID 139761498
2-(7-methoxy-1-methylindol-2-yl)pyridin-4-amine
CID 115113815

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one?
The IUPAC name of 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one (CID 4914636) is 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one is COc1cccc2cc(CCl)c(=O)n(C)c12.
What is the InChIKey of 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one?
The InChIKey is INIBQLBWYIWNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-14-11-8(4-3-5-10(11)16-2)6-9(7-13)12(14)15/h3-6H,7H2,1-2H3.
What are the key properties of 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one?
3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one has a molecular weight of 237.69 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-8-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 4914636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).