6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one

C11H9Cl2NO — CID 24906139

IUPAC6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one
SMILESCc1c(C)c2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C11H9Cl2NO/c1-5-6(2)11(15)14-10-4-9(13)8(12)3-7(5)10/h3-4H,1-2H3,(H,14,15)
InChIKeyQHMGFNVRKXVVLO-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.45
Rot. Bonds

About 6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one

6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one (PubChem CID 24906139) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one
PubChem CID24906139
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one
SMILESCc1c(C)c2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C11H9Cl2NO/c1-5-6(2)11(15)14-10-4-9(13)8(12)3-7(5)10/h3-4H,1-2H3,(H,14,15)
InChIKeyQHMGFNVRKXVVLO-UHFFFAOYSA-N
XLogP3.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one?
The IUPAC name of 6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one (CID 24906139) is 6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one is Cc1c(C)c2cc(Cl)c(Cl)cc2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one?
The InChIKey is QHMGFNVRKXVVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-5-6(2)11(15)14-10-4-9(13)8(12)3-7(5)10/h3-4H,1-2H3,(H,14,15).
What are the key properties of 6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one?
6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one has a molecular weight of 242.10 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3,4-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 24906139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).