3-(6-bromoquinazolin-4-yl)benzonitrile

C15H8BrN3 — CID 68516089

IUPAC3-(6-bromoquinazolin-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C15H8BrN3/c16-12-4-5-14-13(7-12)15(19-9-18-14)11-3-1-2-10(6-11)8-17/h1-7,9H
InChIKeyXXCRRVUGWDEFGW-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.93
Rot. Bonds1

About 3-(6-bromoquinazolin-4-yl)benzonitrile

3-(6-bromoquinazolin-4-yl)benzonitrile (PubChem CID 68516089) has the molecular formula C15H8BrN3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-(6-bromoquinazolin-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-bromoquinazolin-4-yl)benzonitrile
PubChem CID68516089
Molecular FormulaC15H8BrN3
Molecular Weight310.15 g/mol
Exact Mass308.99
IUPAC Name3-(6-bromoquinazolin-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C15H8BrN3/c16-12-4-5-14-13(7-12)15(19-9-18-14)11-3-1-2-10(6-11)8-17/h1-7,9H
InChIKeyXXCRRVUGWDEFGW-UHFFFAOYSA-N
XLogP3.93
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(6-bromoquinazolin-4-yl)benzonitrile 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

CID 59716374
CID 59716374
3-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]oxybenzonitrile
CID 22031328
4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile
CID 55321352
3-(6-chloropyrimidin-4-yl)benzonitrile
CID 19988636
4-(3-bromophenyl)-6,7-diethoxyquinazoline
CID 22663169
3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
CID 3235560
4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine
CID 170641265
3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 154604788
3-(2,6-dibromophenyl)benzonitrile
CID 153317641
3-(6-bromoquinazolin-4-yl)-5-fluorobenzoic acid
CID 86732706
3-(6-methylquinazolin-4-yl)sulfanylbenzonitrile
CID 133430096
3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile
CID 46879811

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoquinazolin-4-yl)benzonitrile?
The IUPAC name of 3-(6-bromoquinazolin-4-yl)benzonitrile (CID 68516089) is 3-(6-bromoquinazolin-4-yl)benzonitrile.
What is the SMILES notation for 3-(6-bromoquinazolin-4-yl)benzonitrile?
The canonical SMILES for 3-(6-bromoquinazolin-4-yl)benzonitrile is N#Cc1cccc(-c2ncnc3ccc(Br)cc23)c1.
What is the InChIKey of 3-(6-bromoquinazolin-4-yl)benzonitrile?
The InChIKey is XXCRRVUGWDEFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3/c16-12-4-5-14-13(7-12)15(19-9-18-14)11-3-1-2-10(6-11)8-17/h1-7,9H.
What are the key properties of 3-(6-bromoquinazolin-4-yl)benzonitrile?
3-(6-bromoquinazolin-4-yl)benzonitrile has a molecular weight of 310.15 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromoquinazolin-4-yl)benzonitrile is sourced from PubChem (CID 68516089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).