2-(4-bromophenyl)quinazoline-6-carbonitrile

C15H8BrN3 — CID 101015506

IUPAC2-(4-bromophenyl)quinazoline-6-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc(Br)cc3)ncc2c1
InChIInChI=1S/C15H8BrN3/c16-13-4-2-11(3-5-13)15-18-9-12-7-10(8-17)1-6-14(12)19-15/h1-7,9H
InChIKeyNKJRVEBHQOZJGX-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.93
Rot. Bonds1

About 2-(4-bromophenyl)quinazoline-6-carbonitrile

2-(4-bromophenyl)quinazoline-6-carbonitrile (PubChem CID 101015506) has the molecular formula C15H8BrN3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)quinazoline-6-carbonitrile.

Molecular Properties

Compound Name2-(4-bromophenyl)quinazoline-6-carbonitrile
PubChem CID101015506
Molecular FormulaC15H8BrN3
Molecular Weight310.15 g/mol
Exact Mass308.99
IUPAC Name2-(4-bromophenyl)quinazoline-6-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc(Br)cc3)ncc2c1
InChIInChI=1S/C15H8BrN3/c16-13-4-2-11(3-5-13)15-18-9-12-7-10(8-17)1-6-14(12)19-15/h1-7,9H
InChIKeyNKJRVEBHQOZJGX-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

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Related Compounds

2-(4-ethylphenyl)quinazoline-6-carbonitrile
CID 10945150
6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile
CID 142730471
6-cyanoquinazoline-2-carboxylic acid
CID 144887099
4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
2-cyclopropylquinazoline-6-carbonitrile
CID 23082042
6-chloro-2-(4-chlorophenyl)quinazoline
CID 57333326
4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile
CID 90126936
2-[3,5-bis(trideuteriomethoxy)phenyl]-6-bromoquinazoline
CID 172915780
4-[4-(4-bromophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 156551370
3-bromo-4-formylbenzonitrile
CID 20510518
7-bromophenanthrene-2-carbonitrile
CID 129104826
4-(4-bromophenyl)-3-ethenylbenzonitrile
CID 121247724

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)quinazoline-6-carbonitrile?
The IUPAC name of 2-(4-bromophenyl)quinazoline-6-carbonitrile (CID 101015506) is 2-(4-bromophenyl)quinazoline-6-carbonitrile.
What is the SMILES notation for 2-(4-bromophenyl)quinazoline-6-carbonitrile?
The canonical SMILES for 2-(4-bromophenyl)quinazoline-6-carbonitrile is N#Cc1ccc2nc(-c3ccc(Br)cc3)ncc2c1.
What is the InChIKey of 2-(4-bromophenyl)quinazoline-6-carbonitrile?
The InChIKey is NKJRVEBHQOZJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3/c16-13-4-2-11(3-5-13)15-18-9-12-7-10(8-17)1-6-14(12)19-15/h1-7,9H.
What are the key properties of 2-(4-bromophenyl)quinazoline-6-carbonitrile?
2-(4-bromophenyl)quinazoline-6-carbonitrile 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 2-(4-bromophenyl)quinazoline-6-carbonitrile is sourced from PubChem (CID 101015506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).