3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one

C18H11BrN2O2 — CID 1393685

IUPAC3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(Br)cc1
InChIInChI=1S/C18H11BrN2O2/c19-12-7-9-13(10-8-12)21-17(16-6-3-11-23-16)20-15-5-2-1-4-14(15)18(21)22/h1-11H
InChIKeyXWVRWVRHWVCUBG-UHFFFAOYSA-N
MW367.20 g/mol
LogP4.41
Rot. Bonds2

About 3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one

3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one (PubChem CID 1393685) has the molecular formula C18H11BrN2O2 and a molecular weight of 367.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one
PubChem CID1393685
Molecular FormulaC18H11BrN2O2
Molecular Weight367.20 g/mol
Exact Mass366.00
IUPAC Name3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(Br)cc1
InChIInChI=1S/C18H11BrN2O2/c19-12-7-9-13(10-8-12)21-17(16-6-3-11-23-16)20-15-5-2-1-4-14(15)18(21)22/h1-11H
InChIKeyXWVRWVRHWVCUBG-UHFFFAOYSA-N
XLogP4.41
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one (CID 1393685) is 3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one?
The InChIKey is XWVRWVRHWVCUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O2/c19-12-7-9-13(10-8-12)21-17(16-6-3-11-23-16)20-15-5-2-1-4-14(15)18(21)22/h1-11H.
What are the key properties of 3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one?
3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one has a molecular weight of 367.20 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(furan-2-yl)quinazolin-4-one is sourced from PubChem (CID 1393685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).