6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine

C15H16BrN5 — CID 133376543

IUPAC6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine
SMILESCN(CCCn1ccnc1)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C15H16BrN5/c1-20(6-2-7-21-8-5-17-11-21)15-13-9-12(16)3-4-14(13)18-10-19-15/h3-5,8-11H,2,6-7H2,1H3
InChIKeyHVNKROZUHMMMAC-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.12
Rot. Bonds5

About 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine

6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine (PubChem CID 133376543) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine
PubChem CID133376543
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine
SMILESCN(CCCn1ccnc1)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C15H16BrN5/c1-20(6-2-7-21-8-5-17-11-21)15-13-9-12(16)3-4-14(13)18-10-19-15/h3-5,8-11H,2,6-7H2,1H3
InChIKeyHVNKROZUHMMMAC-UHFFFAOYSA-N
XLogP3.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine 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-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile
CID 133370502
N-(3-imidazol-1-ylpropyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133376566
3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine
CID 99841114
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553
6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
CID 86305832
6-bromo-N-(3-imidazol-1-ylpropyl)quinazolin-2-amine
CID 172881986
4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
CID 64587901
N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584
6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine
CID 133494736
N-butyl-6-methoxy-N-methylquinazolin-4-amine
CID 21002840
(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 102948559
5-bromo-2-(3-imidazol-1-ylpropoxy)benzenesulfonyl chloride
CID 82909606

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine (CID 133376543) is 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine is CN(CCCn1ccnc1)c1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine?
The InChIKey is HVNKROZUHMMMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-20(6-2-7-21-8-5-17-11-21)15-13-9-12(16)3-4-14(13)18-10-19-15/h3-5,8-11H,2,6-7H2,1H3.
What are the key properties of 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine?
6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine has a molecular weight of 346.23 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 133376543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).