6-chloro-2-(chloromethyl)-6H-quinolin-4-one

C10H7Cl2NO — CID 73403338

IUPAC6-chloro-2-(chloromethyl)-6H-quinolin-4-one
SMILESO=C1C=C(CCl)N=C2C=CC(Cl)C=C12
InChIInChI=1S/C10H7Cl2NO/c11-5-7-4-10(14)8-3-6(12)1-2-9(8)13-7/h1-4,6H,5H2
InChIKeyRDHYUGWECAYNGY-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.24
Rot. Bonds1

About 6-chloro-2-(chloromethyl)-6H-quinolin-4-one

6-chloro-2-(chloromethyl)-6H-quinolin-4-one (PubChem CID 73403338) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-6H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-6H-quinolin-4-one
PubChem CID73403338
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name6-chloro-2-(chloromethyl)-6H-quinolin-4-one
SMILESO=C1C=C(CCl)N=C2C=CC(Cl)C=C12
InChIInChI=1S/C10H7Cl2NO/c11-5-7-4-10(14)8-3-6(12)1-2-9(8)13-7/h1-4,6H,5H2
InChIKeyRDHYUGWECAYNGY-UHFFFAOYSA-N
XLogP2.24
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-6H-quinolin-4-one?
The IUPAC name of 6-chloro-2-(chloromethyl)-6H-quinolin-4-one (CID 73403338) is 6-chloro-2-(chloromethyl)-6H-quinolin-4-one.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-6H-quinolin-4-one?
The canonical SMILES for 6-chloro-2-(chloromethyl)-6H-quinolin-4-one is O=C1C=C(CCl)N=C2C=CC(Cl)C=C12.
What is the InChIKey of 6-chloro-2-(chloromethyl)-6H-quinolin-4-one?
The InChIKey is RDHYUGWECAYNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-5-7-4-10(14)8-3-6(12)1-2-9(8)13-7/h1-4,6H,5H2.
What are the key properties of 6-chloro-2-(chloromethyl)-6H-quinolin-4-one?
6-chloro-2-(chloromethyl)-6H-quinolin-4-one has a molecular weight of 228.08 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-6H-quinolin-4-one is sourced from PubChem (CID 73403338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).