3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one

C22H27N3O — CID 110186491

IUPAC3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one
SMILESCCN(CCCc1ccccc1)CCCn1cnc2ccccc2c1=O
InChIInChI=1S/C22H27N3O/c1-2-24(15-8-12-19-10-4-3-5-11-19)16-9-17-25-18-23-21-14-7-6-13-20(21)22(25)26/h3-7,10-11,13-14,18H,2,8-9,12,15-17H2,1H3
InChIKeyRDBHUCWZUHXYLQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.74
Rot. Bonds9

About 3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one

3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one (PubChem CID 110186491) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one
PubChem CID110186491
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one
SMILESCCN(CCCc1ccccc1)CCCn1cnc2ccccc2c1=O
InChIInChI=1S/C22H27N3O/c1-2-24(15-8-12-19-10-4-3-5-11-19)16-9-17-25-18-23-21-14-7-6-13-20(21)22(25)26/h3-7,10-11,13-14,18H,2,8-9,12,15-17H2,1H3
InChIKeyRDBHUCWZUHXYLQ-UHFFFAOYSA-N
XLogP3.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[ethyl(3-phenylpropyl)amino]propyl]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-[3-[ethyl-[2-(4-methoxyphenyl)ethyl]amino]propyl]quinazolin-4-one
CID 136821833
3-propylquinazolin-4-one
CID 529124
3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one
CID 136821785
3-[3-(benzenesulfonyl)propyl]quinazolin-4-one
CID 47066485
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one
CID 110185060
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663

Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one?
The IUPAC name of 3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one (CID 110186491) is 3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one is CCN(CCCc1ccccc1)CCCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one?
The InChIKey is RDBHUCWZUHXYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-2-24(15-8-12-19-10-4-3-5-11-19)16-9-17-25-18-23-21-14-7-6-13-20(21)22(25)26/h3-7,10-11,13-14,18H,2,8-9,12,15-17H2,1H3.
What are the key properties of 3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one?
3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one has a molecular weight of 349.48 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one is sourced from PubChem (CID 110186491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).