3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one

C21H25N3O — CID 136821785

IUPAC3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one
SMILESCC(CCn1cnc2ccccc2c1=O)NCCCc1ccccc1
InChIInChI=1S/C21H25N3O/c1-17(22-14-7-10-18-8-3-2-4-9-18)13-15-24-16-23-20-12-6-5-11-19(20)21(24)25/h2-6,8-9,11-12,16-17,22H,7,10,13-15H2,1H3
InChIKeyOKLJUIYDWLGDTM-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.40
Rot. Bonds8

About 3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one

3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one (PubChem CID 136821785) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one
PubChem CID136821785
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one
SMILESCC(CCn1cnc2ccccc2c1=O)NCCCc1ccccc1
InChIInChI=1S/C21H25N3O/c1-17(22-14-7-10-18-8-3-2-4-9-18)13-15-24-16-23-20-12-6-5-11-19(20)21(24)25/h2-6,8-9,11-12,16-17,22H,7,10,13-15H2,1H3
InChIKeyOKLJUIYDWLGDTM-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
CID 62563376
3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one
CID 110186491
3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
CID 3026481
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-propylquinazolin-4-one
CID 529124
3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one
CID 62563208
3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one
CID 110185060
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52509917
3-[2-(3,3-dimethylbutylamino)ethyl]quinazolin-4-one
CID 62562143

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one?
The IUPAC name of 3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one (CID 136821785) is 3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one?
The canonical SMILES for 3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one is CC(CCn1cnc2ccccc2c1=O)NCCCc1ccccc1.
What is the InChIKey of 3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one?
The InChIKey is OKLJUIYDWLGDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-17(22-14-7-10-18-8-3-2-4-9-18)13-15-24-16-23-20-12-6-5-11-19(20)21(24)25/h2-6,8-9,11-12,16-17,22H,7,10,13-15H2,1H3.
What are the key properties of 3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one?
3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one has a molecular weight of 335.45 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one is sourced from PubChem (CID 136821785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).