3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one

C21H21N3O2 — CID 47061607

IUPAC3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one
SMILESO=C(c1cccc(Cn2cnc3ccccc3c2=O)c1)N1CCCCC1
InChIInChI=1S/C21H21N3O2/c25-20(23-11-4-1-5-12-23)17-8-6-7-16(13-17)14-24-15-22-19-10-3-2-9-18(19)21(24)26/h2-3,6-10,13,15H,1,4-5,11-12,14H2
InChIKeyOUGFRXXVMGMYKT-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.07
Rot. Bonds3

About 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one

3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one (PubChem CID 47061607) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one
PubChem CID47061607
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one
SMILESO=C(c1cccc(Cn2cnc3ccccc3c2=O)c1)N1CCCCC1
InChIInChI=1S/C21H21N3O2/c25-20(23-11-4-1-5-12-23)17-8-6-7-16(13-17)14-24-15-22-19-10-3-2-9-18(19)21(24)26/h2-3,6-10,13,15H,1,4-5,11-12,14H2
InChIKeyOUGFRXXVMGMYKT-UHFFFAOYSA-N
XLogP3.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]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

3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl]quinazolin-4-one
CID 53060346
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]butanamide
CID 46477188
[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 110899899
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55847594
3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one (CID 47061607) is 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one is O=C(c1cccc(Cn2cnc3ccccc3c2=O)c1)N1CCCCC1.
What is the InChIKey of 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one?
The InChIKey is OUGFRXXVMGMYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(23-11-4-1-5-12-23)17-8-6-7-16(13-17)14-24-15-22-19-10-3-2-9-18(19)21(24)26/h2-3,6-10,13,15H,1,4-5,11-12,14H2.
What are the key properties of 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one?
3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one is sourced from PubChem (CID 47061607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).