3-(3-methyl-2-oxobutyl)quinazolin-4-one

C13H14N2O2 — CID 78949362

IUPAC3-(3-methyl-2-oxobutyl)quinazolin-4-one
SMILESCC(C)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C13H14N2O2/c1-9(2)12(16)7-15-8-14-11-6-4-3-5-10(11)13(15)17/h3-6,8-9H,7H2,1-2H3
InChIKeySYDOEALIBICYDM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.62
Rot. Bonds3

About 3-(3-methyl-2-oxobutyl)quinazolin-4-one

3-(3-methyl-2-oxobutyl)quinazolin-4-one (PubChem CID 78949362) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobutyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-methyl-2-oxobutyl)quinazolin-4-one
PubChem CID78949362
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(3-methyl-2-oxobutyl)quinazolin-4-one
SMILESCC(C)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C13H14N2O2/c1-9(2)12(16)7-15-8-14-11-6-4-3-5-10(11)13(15)17/h3-6,8-9H,7H2,1-2H3
InChIKeySYDOEALIBICYDM-UHFFFAOYSA-N
XLogP1.62
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-methyl-2-oxobutyl)quinazolin-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-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 4809023
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
N-[(2R)-1-methoxypropan-2-yl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 95159752
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobutyl)quinazolin-4-one?
The IUPAC name of 3-(3-methyl-2-oxobutyl)quinazolin-4-one (CID 78949362) is 3-(3-methyl-2-oxobutyl)quinazolin-4-one.
What is the SMILES notation for 3-(3-methyl-2-oxobutyl)quinazolin-4-one?
The canonical SMILES for 3-(3-methyl-2-oxobutyl)quinazolin-4-one is CC(C)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of 3-(3-methyl-2-oxobutyl)quinazolin-4-one?
The InChIKey is SYDOEALIBICYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(2)12(16)7-15-8-14-11-6-4-3-5-10(11)13(15)17/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3-(3-methyl-2-oxobutyl)quinazolin-4-one?
3-(3-methyl-2-oxobutyl)quinazolin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobutyl)quinazolin-4-one is sourced from PubChem (CID 78949362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).