1,2-dimethylquinolin-7-one

C11H11NO — CID 102042492

IUPAC1,2-dimethylquinolin-7-one
SMILESCc1ccc2ccc(=O)cc-2n1C
InChIInChI=1S/C11H11NO/c1-8-3-4-9-5-6-10(13)7-11(9)12(8)2/h3-7H,1-2H3
InChIKeyBWULJXUBASOTFY-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.80
Rot. Bonds

About 1,2-dimethylquinolin-7-one

1,2-dimethylquinolin-7-one (PubChem CID 102042492) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1,2-dimethylquinolin-7-one.

Molecular Properties

Compound Name1,2-dimethylquinolin-7-one
PubChem CID102042492
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1,2-dimethylquinolin-7-one
SMILESCc1ccc2ccc(=O)cc-2n1C
InChIInChI=1S/C11H11NO/c1-8-3-4-9-5-6-10(13)7-11(9)12(8)2/h3-7H,1-2H3
InChIKeyBWULJXUBASOTFY-UHFFFAOYSA-N
XLogP1.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylquinolin-7-one?
The IUPAC name of 1,2-dimethylquinolin-7-one (CID 102042492) is 1,2-dimethylquinolin-7-one.
What is the SMILES notation for 1,2-dimethylquinolin-7-one?
The canonical SMILES for 1,2-dimethylquinolin-7-one is Cc1ccc2ccc(=O)cc-2n1C.
What is the InChIKey of 1,2-dimethylquinolin-7-one?
The InChIKey is BWULJXUBASOTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-3-4-9-5-6-10(13)7-11(9)12(8)2/h3-7H,1-2H3.
What are the key properties of 1,2-dimethylquinolin-7-one?
1,2-dimethylquinolin-7-one has a molecular weight of 173.21 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylquinolin-7-one is sourced from PubChem (CID 102042492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).