7-bromo-3-(2-phenylethyl)quinazolin-4-one

C16H13BrN2O — CID 79035663

IUPAC7-bromo-3-(2-phenylethyl)quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1CCc1ccccc1
InChIInChI=1S/C16H13BrN2O/c17-13-6-7-14-15(10-13)18-11-19(16(14)20)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
InChIKeyGJPXVEZNKSGCEL-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.40
Rot. Bonds3

About 7-bromo-3-(2-phenylethyl)quinazolin-4-one

7-bromo-3-(2-phenylethyl)quinazolin-4-one (PubChem CID 79035663) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 7-bromo-3-(2-phenylethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-(2-phenylethyl)quinazolin-4-one
PubChem CID79035663
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name7-bromo-3-(2-phenylethyl)quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1CCc1ccccc1
InChIInChI=1S/C16H13BrN2O/c17-13-6-7-14-15(10-13)18-11-19(16(14)20)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
InChIKeyGJPXVEZNKSGCEL-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-7-bromoquinazolin-4-one
CID 23158166
6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one
CID 17409122
7-bromo-3-(3,3,3-trifluoropropyl)quinazolin-4-one
CID 78961139
7-bromo-3-pent-4-enylquinazolin-4-one
CID 78992940
3-[(7-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 78961074
7-bromo-3-(2-tert-butylsulfonylethyl)quinazolin-4-one
CID 103710587
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
7-bromo-3-[(E)-3-chloroprop-2-enyl]quinazolin-4-one
CID 81435822
7-bromo-3-(thiophen-3-ylmethyl)quinazolin-4-one
CID 115299855
7-bromo-3-[2-(2-methylpropoxy)ethyl]quinazolin-4-one
CID 106455785
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
2-(7-bromo-4-oxoquinazolin-3-yl)-N,N-dimethylacetamide
CID 78961217

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-phenylethyl)quinazolin-4-one?
The IUPAC name of 7-bromo-3-(2-phenylethyl)quinazolin-4-one (CID 79035663) is 7-bromo-3-(2-phenylethyl)quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-(2-phenylethyl)quinazolin-4-one?
The canonical SMILES for 7-bromo-3-(2-phenylethyl)quinazolin-4-one is O=c1c2ccc(Br)cc2ncn1CCc1ccccc1.
What is the InChIKey of 7-bromo-3-(2-phenylethyl)quinazolin-4-one?
The InChIKey is GJPXVEZNKSGCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-13-6-7-14-15(10-13)18-11-19(16(14)20)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2.
What are the key properties of 7-bromo-3-(2-phenylethyl)quinazolin-4-one?
7-bromo-3-(2-phenylethyl)quinazolin-4-one has a molecular weight of 329.20 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-phenylethyl)quinazolin-4-one is sourced from PubChem (CID 79035663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).