3-(2-aminopropyl)-5-bromoquinazolin-4-one

C11H12BrN3O — CID 117263719

IUPAC3-(2-aminopropyl)-5-bromoquinazolin-4-one
SMILESCC(N)Cn1cnc2cccc(Br)c2c1=O
InChIInChI=1S/C11H12BrN3O/c1-7(13)5-15-6-14-9-4-2-3-8(12)10(9)11(15)16/h2-4,6-7H,5,13H2,1H3
InChIKeyYBXFFGFAYKSBDS-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.51
Rot. Bonds2

About 3-(2-aminopropyl)-5-bromoquinazolin-4-one

3-(2-aminopropyl)-5-bromoquinazolin-4-one (PubChem CID 117263719) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-(2-aminopropyl)-5-bromoquinazolin-4-one.

Molecular Properties

Compound Name3-(2-aminopropyl)-5-bromoquinazolin-4-one
PubChem CID117263719
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-(2-aminopropyl)-5-bromoquinazolin-4-one
SMILESCC(N)Cn1cnc2cccc(Br)c2c1=O
InChIInChI=1S/C11H12BrN3O/c1-7(13)5-15-6-14-9-4-2-3-8(12)10(9)11(15)16/h2-4,6-7H,5,13H2,1H3
InChIKeyYBXFFGFAYKSBDS-UHFFFAOYSA-N
XLogP1.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminopropyl)-5-bromoquinazolin-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

5-bromo-3-(2-hydroxypropyl)quinazolin-4-one
CID 117263443
5-bromo-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117263765
8-bromo-3-(2-hydroxypropyl)quinazolin-4-one
CID 117264522
3-(1-aminoethyl)-5-methylquinazolin-4-one
CID 117263645
3-(2-aminopropyl)-6-ethylpyrimidin-4-one
CID 130878021
2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one
CID 90235944
2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
CID 155191430
2-(2-aminopropyl)-4-bromoisoindole-1,3-dione
CID 117031727
2-[4-oxo-5-(trifluoromethyl)quinazolin-3-yl]acetaldehyde
CID 117263455
3-[2-(bromomethyl)butyl]quinazolin-4-one
CID 64995247
sodium 5-chloro-3-(2-methoxypropyl)-4-oxoquinazoline-6-thiolate
CID 171837077
1-[(2S)-2-aminopropyl]pyrimidin-2-one
CID 30429240

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-5-bromoquinazolin-4-one?
The IUPAC name of 3-(2-aminopropyl)-5-bromoquinazolin-4-one (CID 117263719) is 3-(2-aminopropyl)-5-bromoquinazolin-4-one.
What is the SMILES notation for 3-(2-aminopropyl)-5-bromoquinazolin-4-one?
The canonical SMILES for 3-(2-aminopropyl)-5-bromoquinazolin-4-one is CC(N)Cn1cnc2cccc(Br)c2c1=O.
What is the InChIKey of 3-(2-aminopropyl)-5-bromoquinazolin-4-one?
The InChIKey is YBXFFGFAYKSBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-7(13)5-15-6-14-9-4-2-3-8(12)10(9)11(15)16/h2-4,6-7H,5,13H2,1H3.
What are the key properties of 3-(2-aminopropyl)-5-bromoquinazolin-4-one?
3-(2-aminopropyl)-5-bromoquinazolin-4-one has a molecular weight of 282.14 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-5-bromoquinazolin-4-one is sourced from PubChem (CID 117263719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).