3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one

C20H14BrFN2O — CID 3115666

IUPAC3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(F)cc2)N1c1ccc(Br)cc1
InChIInChI=1S/C20H14BrFN2O/c21-14-7-11-16(12-8-14)24-19(13-5-9-15(22)10-6-13)23-18-4-2-1-3-17(18)20(24)25/h1-12,19,23H
InChIKeyKQWLVKXGONLDSA-UHFFFAOYSA-N
MW397.25 g/mol
LogP5.36
Rot. Bonds2

About 3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one

3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 3115666) has the molecular formula C20H14BrFN2O and a molecular weight of 397.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID3115666
Molecular FormulaC20H14BrFN2O
Molecular Weight397.25 g/mol
Exact Mass396.03
IUPAC Name3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(F)cc2)N1c1ccc(Br)cc1
InChIInChI=1S/C20H14BrFN2O/c21-14-7-11-16(12-8-14)24-19(13-5-9-15(22)10-6-13)23-18-4-2-1-3-17(18)20(24)25/h1-12,19,23H
InChIKeyKQWLVKXGONLDSA-UHFFFAOYSA-N
XLogP5.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.25
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one (CID 3115666) is 3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(F)cc2)N1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is KQWLVKXGONLDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN2O/c21-14-7-11-16(12-8-14)24-19(13-5-9-15(22)10-6-13)23-18-4-2-1-3-17(18)20(24)25/h1-12,19,23H.
What are the key properties of 3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 397.25 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3115666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).