5,7-dimethyl-4aH-quinolin-4-one

C11H11NO — CID 73358281

IUPAC5,7-dimethyl-4aH-quinolin-4-one
SMILESCC1=CC2=NC=CC(=O)C2C(C)=C1
InChIInChI=1S/C11H11NO/c1-7-5-8(2)11-9(6-7)12-4-3-10(11)13/h3-6,11H,1-2H3
InChIKeyJCZGGLBDLMUYFL-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.05
Rot. Bonds

About 5,7-dimethyl-4aH-quinolin-4-one

5,7-dimethyl-4aH-quinolin-4-one (PubChem CID 73358281) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 5,7-dimethyl-4aH-quinolin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-4aH-quinolin-4-one
PubChem CID73358281
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name5,7-dimethyl-4aH-quinolin-4-one
SMILESCC1=CC2=NC=CC(=O)C2C(C)=C1
InChIInChI=1S/C11H11NO/c1-7-5-8(2)11-9(6-7)12-4-3-10(11)13/h3-6,11H,1-2H3
InChIKeyJCZGGLBDLMUYFL-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4aH-quinolin-4-one
CID 45074595
Cyclohepta[b]pyridin-4-one
CID 91267558
N-methylanthrapyridon-9-imine
CID 129796937
2-methyl-7-(trifluoromethyl)-4aH-quinolin-4-one
CID 45045236
6-chloro-7-fluoro-4aH-quinolin-4-one
CID 71303946
6-fluoro-7-methyl-4aH-quinolin-4-one
CID 71303961
8-fluoro-6-(trifluoromethyl)-4aH-quinolin-4-one
CID 71304096
8-fluoro-7-methyl-8H-quinolin-4-one
CID 71304097
6-fluoro-2-methyl-4aH-quinolin-4-one
CID 71650445
7-chloro-6-fluoro-4aH-quinolin-4-one
CID 72740927
7-fluoro-2-propyl-4aH-quinolin-4-one
CID 74662016
5,7-difluoro-4aH-quinolin-4-one
CID 74878717

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4aH-quinolin-4-one?
The IUPAC name of 5,7-dimethyl-4aH-quinolin-4-one (CID 73358281) is 5,7-dimethyl-4aH-quinolin-4-one.
What is the SMILES notation for 5,7-dimethyl-4aH-quinolin-4-one?
The canonical SMILES for 5,7-dimethyl-4aH-quinolin-4-one is CC1=CC2=NC=CC(=O)C2C(C)=C1.
What is the InChIKey of 5,7-dimethyl-4aH-quinolin-4-one?
The InChIKey is JCZGGLBDLMUYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7-5-8(2)11-9(6-7)12-4-3-10(11)13/h3-6,11H,1-2H3.
What are the key properties of 5,7-dimethyl-4aH-quinolin-4-one?
5,7-dimethyl-4aH-quinolin-4-one has a molecular weight of 173.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4aH-quinolin-4-one is sourced from PubChem (CID 73358281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).