2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one

C12H15NO — CID 54239079

IUPAC2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one
SMILESCc1cccc2c1NC(C)C(C)C2=O
InChIInChI=1S/C12H15NO/c1-7-5-4-6-10-11(7)13-9(3)8(2)12(10)14/h4-6,8-9,13H,1-3H3
InChIKeyQOSFRVPLMBOACO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.63
Rot. Bonds

About 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one

2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 54239079) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID54239079
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one
SMILESCc1cccc2c1NC(C)C(C)C2=O
InChIInChI=1S/C12H15NO/c1-7-5-4-6-10-11(7)13-9(3)8(2)12(10)14/h4-6,8-9,13H,1-3H3
InChIKeyQOSFRVPLMBOACO-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-ethylidene-3,8-dimethyl-1H-quinolin-4-one
CID 144561524
2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline
CID 118011663
3,4-dimethyl-2,3-dihydroisoindol-1-one
CID 56636550
3-bromo-8-methyl-2,3-dihydro-1H-quinolin-4-one
CID 130137705
(2R,3R)-2-(4-chlorophenyl)-8-methyl-3-nitro-2,3-dihydro-1H-quinolin-4-one
CID 122378983
(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 131142499
(2R,3R)-2-(4-methoxyphenyl)-8-methyl-3-nitro-2,3-dihydro-1H-quinolin-4-one
CID 122378979
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
3-iodo-4-methyl-2,3-dihydroisoindol-1-one
CID 143900412
(2S,3S)-2,3-dimethyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10376769
3,5-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
CID 84618684

Frequently Asked Questions

What is the IUPAC name of 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one (CID 54239079) is 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one is Cc1cccc2c1NC(C)C(C)C2=O.
What is the InChIKey of 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is QOSFRVPLMBOACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-7-5-4-6-10-11(7)13-9(3)8(2)12(10)14/h4-6,8-9,13H,1-3H3.
What are the key properties of 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one?
2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 189.26 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8-trimethyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 54239079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).