1,4,4-trimethyl-3H-quinolin-2-one

C12H15NO — CID 14010251

IUPAC1,4,4-trimethyl-3H-quinolin-2-one
SMILESCN1C(=O)CC(C)(C)c2ccccc21
InChIInChI=1S/C12H15NO/c1-12(2)8-11(14)13(3)10-7-5-4-6-9(10)12/h4-7H,8H2,1-3H3
InChIKeyGVCMFAGYMNVFSA-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.33
Rot. Bonds

About 1,4,4-trimethyl-3H-quinolin-2-one

1,4,4-trimethyl-3H-quinolin-2-one (PubChem CID 14010251) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,4,4-trimethyl-3H-quinolin-2-one.

Molecular Properties

Compound Name1,4,4-trimethyl-3H-quinolin-2-one
PubChem CID14010251
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1,4,4-trimethyl-3H-quinolin-2-one
SMILESCN1C(=O)CC(C)(C)c2ccccc21
InChIInChI=1S/C12H15NO/c1-12(2)8-11(14)13(3)10-7-5-4-6-9(10)12/h4-7H,8H2,1-3H3
InChIKeyGVCMFAGYMNVFSA-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
CID 162402033
1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
CID 68791500
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
2,5,5-trimethyl-1,4-dihydro-2-benzazepin-3-one
CID 11481120
9,9,10-trimethylacridine
CID 610451
1,4,4-trimethyl-3,1-benzoxazin-2-one
CID 30633
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1,4,4-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-quinolin-2-one
CID 86679132
N,N,1-trimethyl-2-oxospiro[3H-quinoline-4,4'-piperidine]-1'-sulfonamide
CID 97401440
1,3,3-trimethyl-4H-quinolin-2-one
CID 15056385
6-(2-bromoacetyl)-1,4,4-trimethyl-3H-quinolin-2-one
CID 86702520

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-3H-quinolin-2-one?
The IUPAC name of 1,4,4-trimethyl-3H-quinolin-2-one (CID 14010251) is 1,4,4-trimethyl-3H-quinolin-2-one.
What is the SMILES notation for 1,4,4-trimethyl-3H-quinolin-2-one?
The canonical SMILES for 1,4,4-trimethyl-3H-quinolin-2-one is CN1C(=O)CC(C)(C)c2ccccc21.
What is the InChIKey of 1,4,4-trimethyl-3H-quinolin-2-one?
The InChIKey is GVCMFAGYMNVFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)8-11(14)13(3)10-7-5-4-6-9(10)12/h4-7H,8H2,1-3H3.
What are the key properties of 1,4,4-trimethyl-3H-quinolin-2-one?
1,4,4-trimethyl-3H-quinolin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-3H-quinolin-2-one is sourced from PubChem (CID 14010251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).