2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline

C27H21BrN2 — CID 134822461

IUPAC2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline
SMILESCN1C(c2ccc(Br)cc2)=NC(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C27H21BrN2/c1-30-25-15-9-8-14-24(25)27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)29-26(30)20-16-18-23(28)19-17-20/h2-19H,1H3
InChIKeyBUGHVUXMZORUDT-UHFFFAOYSA-N
MW453.38 g/mol
LogP6.64
Rot. Bonds3

About 2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline

2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline (PubChem CID 134822461) has the molecular formula C27H21BrN2 and a molecular weight of 453.38 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline
PubChem CID134822461
Molecular FormulaC27H21BrN2
Molecular Weight453.38 g/mol
Exact Mass452.09
IUPAC Name2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline
SMILESCN1C(c2ccc(Br)cc2)=NC(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C27H21BrN2/c1-30-25-15-9-8-14-24(25)27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)29-26(30)20-16-18-23(28)19-17-20/h2-19H,1H3
InChIKeyBUGHVUXMZORUDT-UHFFFAOYSA-N
XLogP6.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.38
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline
CID 134822509
2-(4-chlorophenyl)-4,4-dimethoxy-1-methylquinazoline
CID 86052649
1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
CID 132527977
1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
CID 171476532
1,4,4-trimethyl-2-propan-2-ylquinazoline
CID 174168784
2-(4-bromophenyl)-7-chloro-1-methyl-5-phenyl-1,3,4-benzotriazepine
CID 3497115
9,9,10-trimethylacridine
CID 610451
5-methoxy-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-9,3'-indole]-2'-one
CID 171476525
1-(4-bromophenyl)-9,9-diphenylfluorene
CID 172845574
(3R)-1-methyl-3-phenyl-3-prop-2-enylindole-2-thione
CID 124861499
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(4-bromophenyl)quinoline-4-carboxylate
CID 23794524
5-(4-bromophenyl)-3-methyl-3-phenylpyrazole
CID 135043467

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline?
The IUPAC name of 2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline (CID 134822461) is 2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline.
What is the SMILES notation for 2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline?
The canonical SMILES for 2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline is CN1C(c2ccc(Br)cc2)=NC(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline?
The InChIKey is BUGHVUXMZORUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN2/c1-30-25-15-9-8-14-24(25)27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)29-26(30)20-16-18-23(28)19-17-20/h2-19H,1H3.
What are the key properties of 2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline?
2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline has a molecular weight of 453.38 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline is sourced from PubChem (CID 134822461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).