3-(3-bromophenyl)quinazolin-4-one

C14H9BrN2O — CID 775093

IUPAC3-(3-bromophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1cccc(Br)c1
InChIInChI=1S/C14H9BrN2O/c15-10-4-3-5-11(8-10)17-9-16-13-7-2-1-6-12(13)14(17)18/h1-9H
InChIKeyRXVMUOHRYVNNGT-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.15
Rot. Bonds1

About 3-(3-bromophenyl)quinazolin-4-one

3-(3-bromophenyl)quinazolin-4-one (PubChem CID 775093) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-(3-bromophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-bromophenyl)quinazolin-4-one
PubChem CID775093
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name3-(3-bromophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1cccc(Br)c1
InChIInChI=1S/C14H9BrN2O/c15-10-4-3-5-11(8-10)17-9-16-13-7-2-1-6-12(13)14(17)18/h1-9H
InChIKeyRXVMUOHRYVNNGT-UHFFFAOYSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)quinazolin-4-one?
The IUPAC name of 3-(3-bromophenyl)quinazolin-4-one (CID 775093) is 3-(3-bromophenyl)quinazolin-4-one.
What is the SMILES notation for 3-(3-bromophenyl)quinazolin-4-one?
The canonical SMILES for 3-(3-bromophenyl)quinazolin-4-one is O=c1c2ccccc2ncn1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)quinazolin-4-one?
The InChIKey is RXVMUOHRYVNNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-10-4-3-5-11(8-10)17-9-16-13-7-2-1-6-12(13)14(17)18/h1-9H.
What are the key properties of 3-(3-bromophenyl)quinazolin-4-one?
3-(3-bromophenyl)quinazolin-4-one has a molecular weight of 301.14 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)quinazolin-4-one is sourced from PubChem (CID 775093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).