2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline

C20H17BrN2 — CID 166859951

IUPAC2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline
SMILESBrc1nc(C2C=CC(C3C=CC=CC3)=CC2)c2ccccc2n1
InChIInChI=1S/C20H17BrN2/c21-20-22-18-9-5-4-8-17(18)19(23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-6,8-12,14,16H,7,13H2
InChIKeyAXEODANWVXEPAK-UHFFFAOYSA-N
MW365.27 g/mol
LogP5.49
Rot. Bonds2

About 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline

2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline (PubChem CID 166859951) has the molecular formula C20H17BrN2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline.

Molecular Properties

Compound Name2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline
PubChem CID166859951
Molecular FormulaC20H17BrN2
Molecular Weight365.27 g/mol
Exact Mass364.06
IUPAC Name2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline
SMILESBrc1nc(C2C=CC(C3C=CC=CC3)=CC2)c2ccccc2n1
InChIInChI=1S/C20H17BrN2/c21-20-22-18-9-5-4-8-17(18)19(23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-6,8-12,14,16H,7,13H2
InChIKeyAXEODANWVXEPAK-UHFFFAOYSA-N
XLogP5.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.27
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline 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

4-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-yl]dibenzothiophene
CID 139307562
1,2-di(cyclohexa-2,4-dien-1-yl)acridine
CID 140910862
9-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylcarbazol-2-amine
CID 152968565
5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 175629003
4-(4-bromonaphthalen-1-yl)-2-cyclohexa-2,4-dien-1-yl-6-(4-phenylphenyl)pyrimidine
CID 167257422
4-[1-[[2-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-5-phenylcyclohexa-1,3-dien-1-yl]amino]aziridin-1-ium-2-yl]but-3-ene-1-thiol
CID 163944143
4-cyclohexa-2,4-dien-1-yl-2,8,10-triphenylpyrimido[4,5-f]quinazoline
CID 126706834
9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-phenylanthracene
CID 123534233
N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline
CID 145377407
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline
CID 155307171
3-(8-azabicyclo[5.1.0]octa-2,4-dien-8-yl)-2-propan-2-ylquinazolin-4-one
CID 11109143
4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-[6-(12-phenyl-5,6-dihydrochrysen-6-yl)-4a,9b-dihydrodibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 166702091

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline?
The IUPAC name of 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline (CID 166859951) is 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline.
What is the SMILES notation for 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline?
The canonical SMILES for 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline is Brc1nc(C2C=CC(C3C=CC=CC3)=CC2)c2ccccc2n1.
What is the InChIKey of 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline?
The InChIKey is AXEODANWVXEPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2/c21-20-22-18-9-5-4-8-17(18)19(23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-6,8-12,14,16H,7,13H2.
What are the key properties of 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline?
2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline has a molecular weight of 365.27 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)quinazoline is sourced from PubChem (CID 166859951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).