3-(chloromethyl)-3H-quinolin-2-one

C10H8ClNO — CID 45024998

IUPAC3-(chloromethyl)-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=CC1CCl
InChIInChI=1S/C10H8ClNO/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5,8H,6H2
InChIKeyHCRDPKSCOCHUJB-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.48
Rot. Bonds1

About 3-(chloromethyl)-3H-quinolin-2-one

3-(chloromethyl)-3H-quinolin-2-one (PubChem CID 45024998) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 3-(chloromethyl)-3H-quinolin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-3H-quinolin-2-one
PubChem CID45024998
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name3-(chloromethyl)-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=CC1CCl
InChIInChI=1S/C10H8ClNO/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5,8H,6H2
InChIKeyHCRDPKSCOCHUJB-UHFFFAOYSA-N
XLogP0.48
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-3H-quinolin-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

2,3-Dihydroquinolinone
CID 56625474
6-chloro-3H-quinolin-2-one
CID 57098757
3-Chloroquinolin-2-one
CID 57153084
6-chloro-3-methyl-3H-quinolin-2-one
CID 57222718
4-chloro-2-oxo-3H-quinoline-3-carbonitrile
CID 71651365
4-chloro-6-methyl-2-oxo-3H-quinoline-3-carbonitrile
CID 90959534
ethane;3-methyl-3H-quinolin-2-one
CID 91141532
3-methyl-3H-quinolin-2-one
CID 91141533
3H-benzo[g]quinolin-2-one;hydrochloride
CID 159296641
5,7-dichloro-3H-quinolin-2-one
CID 175345147
6-chloro-3-(chloromethyl)-3H-quinolin-2-one
CID 45025212
3-chloro-4-methylquinolin-2(3H)-one
CID 71650939

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3H-quinolin-2-one?
The IUPAC name of 3-(chloromethyl)-3H-quinolin-2-one (CID 45024998) is 3-(chloromethyl)-3H-quinolin-2-one.
What is the SMILES notation for 3-(chloromethyl)-3H-quinolin-2-one?
The canonical SMILES for 3-(chloromethyl)-3H-quinolin-2-one is O=C1N=c2ccccc2=CC1CCl.
What is the InChIKey of 3-(chloromethyl)-3H-quinolin-2-one?
The InChIKey is HCRDPKSCOCHUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5,8H,6H2.
What are the key properties of 3-(chloromethyl)-3H-quinolin-2-one?
3-(chloromethyl)-3H-quinolin-2-one has a molecular weight of 193.63 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3H-quinolin-2-one is sourced from PubChem (CID 45024998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).