3,7-dimethyl-1H-quinolin-2-one

C11H11NO — CID 12693830

IUPAC3,7-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(C)c(=O)[nH]c2c1
InChIInChI=1S/C11H11NO/c1-7-3-4-9-6-8(2)11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13)
InChIKeyPLBYGUGONFXWSH-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.14
Rot. Bonds

About 3,7-dimethyl-1H-quinolin-2-one

3,7-dimethyl-1H-quinolin-2-one (PubChem CID 12693830) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3,7-dimethyl-1H-quinolin-2-one
PubChem CID12693830
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3,7-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(C)c(=O)[nH]c2c1
InChIInChI=1S/C11H11NO/c1-7-3-4-9-6-8(2)11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13)
InChIKeyPLBYGUGONFXWSH-UHFFFAOYSA-N
XLogP2.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1H-benzo[g]quinolin-2-one
CID 18347999
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
6,7-dichloro-3-methyl-1H-quinolin-2-one
CID 15091486
3-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110427940
6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
CID 145445057
2-fluoro-6-methyl-1H-indole
CID 150508639
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
N-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110427931
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 947564
6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84637709
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3,7-dimethyl-1H-quinolin-2-one (CID 12693830) is 3,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3,7-dimethyl-1H-quinolin-2-one is Cc1ccc2cc(C)c(=O)[nH]c2c1.
What is the InChIKey of 3,7-dimethyl-1H-quinolin-2-one?
The InChIKey is PLBYGUGONFXWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7-3-4-9-6-8(2)11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of 3,7-dimethyl-1H-quinolin-2-one?
3,7-dimethyl-1H-quinolin-2-one has a molecular weight of 173.21 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 12693830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).