4,7-dimethyl-6H-quinolin-2-one

C11H11NO — CID 56633878

IUPAC4,7-dimethyl-6H-quinolin-2-one
SMILESCC1=CC2=NC(=O)C=C(C)C2=CC1
InChIInChI=1S/C11H11NO/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h4-6H,3H2,1-2H3
InChIKeyWBELVECQXSKFSD-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.19
Rot. Bonds

About 4,7-dimethyl-6H-quinolin-2-one

4,7-dimethyl-6H-quinolin-2-one (PubChem CID 56633878) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 4,7-dimethyl-6H-quinolin-2-one.

Molecular Properties

Compound Name4,7-dimethyl-6H-quinolin-2-one
PubChem CID56633878
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name4,7-dimethyl-6H-quinolin-2-one
SMILESCC1=CC2=NC(=O)C=C(C)C2=CC1
InChIInChI=1S/C11H11NO/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h4-6H,3H2,1-2H3
InChIKeyWBELVECQXSKFSD-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indol-2-one
CID 17904787
6(2H)-Quinolone, 2,2,4-trimethyl-
CID 6451639
1-Benzazepin-2-one
CID 20244764
Benzazoninone
CID 20269004
3-Methyl-oxoindole
CID 21477845
Quinoline-2,6-dione
CID 45039516
Carbonyl quinolinone
CID 71302596
5-Fluoro-7-methylindol-2-one
CID 141270378
6-Fluoro-5-methylindol-2-one
CID 153881793
1,8a-Dimethyl-3-isoquinolinone
CID 129707541
Indenopyridone
CID 129789721
1,2,9-Trimethyl-pyrrolo[3,2-f]quinol-7-one
CID 129791065

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6H-quinolin-2-one?
The IUPAC name of 4,7-dimethyl-6H-quinolin-2-one (CID 56633878) is 4,7-dimethyl-6H-quinolin-2-one.
What is the SMILES notation for 4,7-dimethyl-6H-quinolin-2-one?
The canonical SMILES for 4,7-dimethyl-6H-quinolin-2-one is CC1=CC2=NC(=O)C=C(C)C2=CC1.
What is the InChIKey of 4,7-dimethyl-6H-quinolin-2-one?
The InChIKey is WBELVECQXSKFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h4-6H,3H2,1-2H3.
What are the key properties of 4,7-dimethyl-6H-quinolin-2-one?
4,7-dimethyl-6H-quinolin-2-one has a molecular weight of 173.21 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6H-quinolin-2-one is sourced from PubChem (CID 56633878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).