6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one

C15H10BrFN2O — CID 7886498

IUPAC6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O/c16-11-3-6-14-13(7-11)15(20)19(9-18-14)8-10-1-4-12(17)5-2-10/h1-7,9H,8H2
InChIKeyGTRZUQUSOBSPNL-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.35
Rot. Bonds2

About 6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one

6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one (PubChem CID 7886498) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one
PubChem CID7886498
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O/c16-11-3-6-14-13(7-11)15(20)19(9-18-14)8-10-1-4-12(17)5-2-10/h1-7,9H,8H2
InChIKeyGTRZUQUSOBSPNL-UHFFFAOYSA-N
XLogP3.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one (CID 7886498) is 6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one is O=c1c2cc(Br)ccc2ncn1Cc1ccc(F)cc1.
What is the InChIKey of 6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
The InChIKey is GTRZUQUSOBSPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-11-3-6-14-13(7-11)15(20)19(9-18-14)8-10-1-4-12(17)5-2-10/h1-7,9H,8H2.
What are the key properties of 6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one?
6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one has a molecular weight of 333.16 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-fluorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 7886498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).