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

C10H7Cl2NO — CID 45025212

IUPAC6-chloro-3-(chloromethyl)-3H-quinolin-2-one
SMILESO=C1N=c2ccc(Cl)cc2=CC1CCl
InChIInChI=1S/C10H7Cl2NO/c11-5-7-3-6-4-8(12)1-2-9(6)13-10(7)14/h1-4,7H,5H2
InChIKeyPRKJLEWRLSHOJW-UHFFFAOYSA-N
MW228.08 g/mol
LogP1.14
Rot. Bonds1

About 6-chloro-3-(chloromethyl)-3H-quinolin-2-one

6-chloro-3-(chloromethyl)-3H-quinolin-2-one (PubChem CID 45025212) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 6-chloro-3-(chloromethyl)-3H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(chloromethyl)-3H-quinolin-2-one
PubChem CID45025212
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name6-chloro-3-(chloromethyl)-3H-quinolin-2-one
SMILESO=C1N=c2ccc(Cl)cc2=CC1CCl
InChIInChI=1S/C10H7Cl2NO/c11-5-7-3-6-4-8(12)1-2-9(6)13-10(7)14/h1-4,7H,5H2
InChIKeyPRKJLEWRLSHOJW-UHFFFAOYSA-N
XLogP1.14
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
5,7-dichloro-3H-quinolin-2-one
CID 175345147
3-(chloromethyl)-3H-quinolin-2-one
CID 45024998
3-chloro-4-methylquinolin-2(3H)-one
CID 71650939
3-(chloromethyl)-8aH-isoquinolin-1-one
CID 75596185
3-(2-chloroethyl)-7-methyl-3H-quinolin-2-one
CID 76844625
6-chloro-6H-quinolin-2-one
CID 77519982

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(chloromethyl)-3H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(chloromethyl)-3H-quinolin-2-one (CID 45025212) is 6-chloro-3-(chloromethyl)-3H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(chloromethyl)-3H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(chloromethyl)-3H-quinolin-2-one is O=C1N=c2ccc(Cl)cc2=CC1CCl.
What is the InChIKey of 6-chloro-3-(chloromethyl)-3H-quinolin-2-one?
The InChIKey is PRKJLEWRLSHOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-5-7-3-6-4-8(12)1-2-9(6)13-10(7)14/h1-4,7H,5H2.
What are the key properties of 6-chloro-3-(chloromethyl)-3H-quinolin-2-one?
6-chloro-3-(chloromethyl)-3H-quinolin-2-one has a molecular weight of 228.08 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(chloromethyl)-3H-quinolin-2-one is sourced from PubChem (CID 45025212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).