6,8-dimethyl-4aH-quinolin-2-one

C11H11NO — CID 71650432

IUPAC6,8-dimethyl-4aH-quinolin-2-one
SMILESCC1=CC2C=CC(=O)N=C2C(C)=C1
InChIInChI=1S/C11H11NO/c1-7-5-8(2)11-9(6-7)3-4-10(13)12-11/h3-6,9H,1-2H3
InChIKeyVZIMGXAUUABTBY-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.05
Rot. Bonds

About 6,8-dimethyl-4aH-quinolin-2-one

6,8-dimethyl-4aH-quinolin-2-one (PubChem CID 71650432) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 6,8-dimethyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethyl-4aH-quinolin-2-one
PubChem CID71650432
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name6,8-dimethyl-4aH-quinolin-2-one
SMILESCC1=CC2C=CC(=O)N=C2C(C)=C1
InChIInChI=1S/C11H11NO/c1-7-5-8(2)11-9(6-7)3-4-10(13)12-11/h3-6,9H,1-2H3
InChIKeyVZIMGXAUUABTBY-UHFFFAOYSA-N
XLogP2.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6(2H)-Quinolone, 2,2,4-trimethyl-
CID 6451639
Benzazoninone
CID 20269004
1,8a-Dimethyl-3-isoquinolinone
CID 129707541
1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one
CID 129791065
2,3,9-Trimethylpyrrolo[2,3-f]quinol-7-one
CID 129791208
Cyclohepta[1,2-h]quinolinone
CID 138756899
6-fluoro-6H-quinolin-2-one
CID 71303965
8-fluoro-4aH-quinolin-2-one
CID 71304098
6-fluoro-4aH-quinolin-2-one
CID 71650447
8-fluoro-8H-quinolin-2-one
CID 71650474
5-fluoro-4aH-quinolin-2-one
CID 73200527
5,8-difluoro-4aH-quinolin-2-one
CID 73415018

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4aH-quinolin-2-one?
The IUPAC name of 6,8-dimethyl-4aH-quinolin-2-one (CID 71650432) is 6,8-dimethyl-4aH-quinolin-2-one.
What is the SMILES notation for 6,8-dimethyl-4aH-quinolin-2-one?
The canonical SMILES for 6,8-dimethyl-4aH-quinolin-2-one is CC1=CC2C=CC(=O)N=C2C(C)=C1.
What is the InChIKey of 6,8-dimethyl-4aH-quinolin-2-one?
The InChIKey is VZIMGXAUUABTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7-5-8(2)11-9(6-7)3-4-10(13)12-11/h3-6,9H,1-2H3.
What are the key properties of 6,8-dimethyl-4aH-quinolin-2-one?
6,8-dimethyl-4aH-quinolin-2-one has a molecular weight of 173.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4aH-quinolin-2-one is sourced from PubChem (CID 71650432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).