2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline

C20H15BrN2 — CID 134432211

IUPAC2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline
SMILESBrc1cccc(-c2nc(C3=CCCC=C3)c3ccccc3n2)c1
InChIInChI=1S/C20H15BrN2/c21-16-10-6-9-15(13-16)20-22-18-12-5-4-11-17(18)19(23-20)14-7-2-1-3-8-14/h2,4-13H,1,3H2
InChIKeyKENRZVSBABOLIA-UHFFFAOYSA-N
MW363.26 g/mol
LogP5.79
Rot. Bonds2

About 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline

2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline (PubChem CID 134432211) has the molecular formula C20H15BrN2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline
PubChem CID134432211
Molecular FormulaC20H15BrN2
Molecular Weight363.26 g/mol
Exact Mass362.04
IUPAC Name2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline
SMILESBrc1cccc(-c2nc(C3=CCCC=C3)c3ccccc3n2)c1
InChIInChI=1S/C20H15BrN2/c21-16-10-6-9-15(13-16)20-22-18-12-5-4-11-17(18)19(23-20)14-7-2-1-3-8-14/h2,4-13H,1,3H2
InChIKeyKENRZVSBABOLIA-UHFFFAOYSA-N
XLogP5.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.26
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline 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

2-cyclohexa-1,5-dien-1-yl-4-(3-phenylphenyl)quinazoline
CID 142415982
5-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidine;(Z)-but-2-ene
CID 144696850
2-[3-[4-[2-[3-[2-(2-cyclohexa-1,5-dien-1-ylquinazolin-4-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174308909
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
3-(2-cyclohexa-1,5-dien-1-ylquinazolin-4-yl)-9-phenyl-6-(2-phenylquinazolin-4-yl)carbazole
CID 143224463
2-(3-bromo-5-chlorophenyl)-4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidine
CID 144734477
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
6-(4-cyclohexa-1,5-dien-1-ylbenzo[h]quinazolin-2-yl)naphthalen-2-ol
CID 144827907
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
2-[3-(3-cyclohexa-1,5-dien-1-yl-2,4,5-triphenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168932734

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline?
The IUPAC name of 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline (CID 134432211) is 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline.
What is the SMILES notation for 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline?
The canonical SMILES for 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline is Brc1cccc(-c2nc(C3=CCCC=C3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline?
The InChIKey is KENRZVSBABOLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2/c21-16-10-6-9-15(13-16)20-22-18-12-5-4-11-17(18)19(23-20)14-7-2-1-3-8-14/h2,4-13H,1,3H2.
What are the key properties of 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline?
2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline has a molecular weight of 363.26 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-cyclohexa-1,5-dien-1-ylquinazoline is sourced from PubChem (CID 134432211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).