1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one

C14H19NO — CID 174243733

IUPAC1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC1Cc2cc(C(C)C)ccc2N(C)C1=O
InChIInChI=1S/C14H19NO/c1-9(2)11-5-6-13-12(8-11)7-10(3)14(16)15(13)4/h5-6,8-10H,7H2,1-4H3
InChIKeyRCYXSGLUDMEDAH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds1

About 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one

1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 174243733) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
PubChem CID174243733
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC1Cc2cc(C(C)C)ccc2N(C)C1=O
InChIInChI=1S/C14H19NO/c1-9(2)11-5-6-13-12(8-11)7-10(3)14(16)15(13)4/h5-6,8-10H,7H2,1-4H3
InChIKeyRCYXSGLUDMEDAH-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-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

1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 150677121
8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84740780
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinolin-2-ol
CID 90974062
11-methyl-3-pentan-3-yl-9-propan-2-yl-5,6-dihydrobenzo[b][1]benzazepine
CID 163960465
7-acetyl-1,3-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 143818791
5-(1-bromo-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61098137
methyl 3-(hydroxymethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylate
CID 25138935
1,4-dimethyl-6-propan-2-yl-2,3-dihydroquinoxaline
CID 58398104
1,3-dimethyl-5-propan-2-yl-2H-benzimidazole
CID 134492411

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one (CID 174243733) is 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one is CC1Cc2cc(C(C)C)ccc2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
The InChIKey is RCYXSGLUDMEDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)11-5-6-13-12(8-11)7-10(3)14(16)15(13)4/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one?
1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 174243733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).