4-methyl-4aH-quinolin-2-one

C10H9NO — CID 76521617

IUPAC4-methyl-4aH-quinolin-2-one
SMILESCC1=CC(=O)N=C2C=CC=CC12
InChIInChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6,8H,1H3
InChIKeyCQUXXVBPBAGTIE-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.66
Rot. Bonds

About 4-methyl-4aH-quinolin-2-one

4-methyl-4aH-quinolin-2-one (PubChem CID 76521617) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-methyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-4aH-quinolin-2-one
PubChem CID76521617
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4-methyl-4aH-quinolin-2-one
SMILESCC1=CC(=O)N=C2C=CC=CC12
InChIInChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6,8H,1H3
InChIKeyCQUXXVBPBAGTIE-UHFFFAOYSA-N
XLogP1.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Cyclohexylindol-2-one
CID 91754974
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
2,3,8-Trimethylpyrrolo[2,3-g]quinol-6-one
CID 129791395
Cyclohepta[1,2-h]quinolinone
CID 138756899
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
7-fluoro-4aH-quinolin-2-one
CID 73516911
3-fluoro-4aH-quinolin-2-one
CID 73986618

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4aH-quinolin-2-one?
The IUPAC name of 4-methyl-4aH-quinolin-2-one (CID 76521617) is 4-methyl-4aH-quinolin-2-one.
What is the SMILES notation for 4-methyl-4aH-quinolin-2-one?
The canonical SMILES for 4-methyl-4aH-quinolin-2-one is CC1=CC(=O)N=C2C=CC=CC12.
What is the InChIKey of 4-methyl-4aH-quinolin-2-one?
The InChIKey is CQUXXVBPBAGTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6,8H,1H3.
What are the key properties of 4-methyl-4aH-quinolin-2-one?
4-methyl-4aH-quinolin-2-one has a molecular weight of 159.19 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4aH-quinolin-2-one is sourced from PubChem (CID 76521617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).