5,8-dimethyl-3H-quinolin-4-one

C11H11NO — CID 70279916

IUPAC5,8-dimethyl-3H-quinolin-4-one
SMILESCc1ccc(C)c2c1N=CCC2=O
InChIInChI=1S/C11H11NO/c1-7-3-4-8(2)11-10(7)9(13)5-6-12-11/h3-4,6H,5H2,1-2H3
InChIKeyFOUHBRNUIALYIL-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.59
Rot. Bonds

About 5,8-dimethyl-3H-quinolin-4-one

5,8-dimethyl-3H-quinolin-4-one (PubChem CID 70279916) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 5,8-dimethyl-3H-quinolin-4-one.

Molecular Properties

Compound Name5,8-dimethyl-3H-quinolin-4-one
PubChem CID70279916
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name5,8-dimethyl-3H-quinolin-4-one
SMILESCc1ccc(C)c2c1N=CCC2=O
InChIInChI=1S/C11H11NO/c1-7-3-4-8(2)11-10(7)9(13)5-6-12-11/h3-4,6H,5H2,1-2H3
InChIKeyFOUHBRNUIALYIL-UHFFFAOYSA-N
XLogP2.59
TPSA29.43 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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3H-quinolin-4-one?
The IUPAC name of 5,8-dimethyl-3H-quinolin-4-one (CID 70279916) is 5,8-dimethyl-3H-quinolin-4-one.
What is the SMILES notation for 5,8-dimethyl-3H-quinolin-4-one?
The canonical SMILES for 5,8-dimethyl-3H-quinolin-4-one is Cc1ccc(C)c2c1N=CCC2=O.
What is the InChIKey of 5,8-dimethyl-3H-quinolin-4-one?
The InChIKey is FOUHBRNUIALYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7-3-4-8(2)11-10(7)9(13)5-6-12-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 5,8-dimethyl-3H-quinolin-4-one?
5,8-dimethyl-3H-quinolin-4-one has a molecular weight of 173.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3H-quinolin-4-one is sourced from PubChem (CID 70279916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).