6,8-dichloro-2-methyl-8H-quinolin-4-one

C10H7Cl2NO — CID 76844816

IUPAC6,8-dichloro-2-methyl-8H-quinolin-4-one
SMILESCC1=CC(=O)C2=CC(Cl)=CC(Cl)C2=N1
InChIInChI=1S/C10H7Cl2NO/c1-5-2-9(14)7-3-6(11)4-8(12)10(7)13-5/h2-4,8H,1H3
InChIKeyLYGQNFUHQPTIPJ-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.58
Rot. Bonds

About 6,8-dichloro-2-methyl-8H-quinolin-4-one

6,8-dichloro-2-methyl-8H-quinolin-4-one (PubChem CID 76844816) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 6,8-dichloro-2-methyl-8H-quinolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-2-methyl-8H-quinolin-4-one
PubChem CID76844816
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name6,8-dichloro-2-methyl-8H-quinolin-4-one
SMILESCC1=CC(=O)C2=CC(Cl)=CC(Cl)C2=N1
InChIInChI=1S/C10H7Cl2NO/c1-5-2-9(14)7-3-6(11)4-8(12)10(7)13-5/h2-4,8H,1H3
InChIKeyLYGQNFUHQPTIPJ-UHFFFAOYSA-N
XLogP2.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.58
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 6,8-dichloro-2-methyl-8H-quinolin-4-one?
The IUPAC name of 6,8-dichloro-2-methyl-8H-quinolin-4-one (CID 76844816) is 6,8-dichloro-2-methyl-8H-quinolin-4-one.
What is the SMILES notation for 6,8-dichloro-2-methyl-8H-quinolin-4-one?
The canonical SMILES for 6,8-dichloro-2-methyl-8H-quinolin-4-one is CC1=CC(=O)C2=CC(Cl)=CC(Cl)C2=N1.
What is the InChIKey of 6,8-dichloro-2-methyl-8H-quinolin-4-one?
The InChIKey is LYGQNFUHQPTIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c1-5-2-9(14)7-3-6(11)4-8(12)10(7)13-5/h2-4,8H,1H3.
What are the key properties of 6,8-dichloro-2-methyl-8H-quinolin-4-one?
6,8-dichloro-2-methyl-8H-quinolin-4-one has a molecular weight of 228.08 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-methyl-8H-quinolin-4-one is sourced from PubChem (CID 76844816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).