2-(3-methylbutyl)-3H-quinolin-4-one

C14H17NO — CID 122640658

IUPAC2-(3-methylbutyl)-3H-quinolin-4-one
SMILESCC(C)CCC1=Nc2ccccc2C(=O)C1
InChIInChI=1S/C14H17NO/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15-11/h3-6,10H,7-9H2,1-2H3
InChIKeyGFWSKQYVHJWARZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.78
Rot. Bonds3

About 2-(3-methylbutyl)-3H-quinolin-4-one

2-(3-methylbutyl)-3H-quinolin-4-one (PubChem CID 122640658) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(3-methylbutyl)-3H-quinolin-4-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-3H-quinolin-4-one
PubChem CID122640658
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(3-methylbutyl)-3H-quinolin-4-one
SMILESCC(C)CCC1=Nc2ccccc2C(=O)C1
InChIInChI=1S/C14H17NO/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15-11/h3-6,10H,7-9H2,1-2H3
InChIKeyGFWSKQYVHJWARZ-UHFFFAOYSA-N
XLogP3.78
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylbutyl)-3H-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

2'-Aminoacetophenone
CID 11086
2-Aminobenzophenone
CID 76080
3H-Indol-3-one, 2-phenyl-, 1-oxide
CID 74787
2-Phenylindolone
CID 99128
2-Amino-4'-methylbenzophenone m
CID 118923
1-(2-Aminophenyl)ethan-1-one hydrochloride
CID 168362
Iminoquinone
CID 132942542
3H-Indol-3-one, 2-(2-methylphenyl)-, 1-oxide
CID 362360
2-(5-methylheptyl)-1H-quinolin-4-one
CID 132576663
1-Oxido-2-(p-tolyl)indol-1-ium-3-one
CID 362362
3-Methyl-4-cinnolinol
CID 257352
1-(2-Aminophenyl)propan-1-one
CID 294651

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-3H-quinolin-4-one?
The IUPAC name of 2-(3-methylbutyl)-3H-quinolin-4-one (CID 122640658) is 2-(3-methylbutyl)-3H-quinolin-4-one.
What is the SMILES notation for 2-(3-methylbutyl)-3H-quinolin-4-one?
The canonical SMILES for 2-(3-methylbutyl)-3H-quinolin-4-one is CC(C)CCC1=Nc2ccccc2C(=O)C1.
What is the InChIKey of 2-(3-methylbutyl)-3H-quinolin-4-one?
The InChIKey is GFWSKQYVHJWARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-3H-quinolin-4-one?
2-(3-methylbutyl)-3H-quinolin-4-one has a molecular weight of 215.30 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-3H-quinolin-4-one is sourced from PubChem (CID 122640658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).