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

C20H14BrFN2O — CID 3110626

IUPAC2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(Br)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C20H14BrFN2O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(25)24(19)16-11-9-15(22)10-12-16/h1-12,19,23H
InChIKeyMHDIDZBAAOKNJJ-UHFFFAOYSA-N
MW397.25 g/mol
LogP5.36
Rot. Bonds2

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

2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 3110626) has the molecular formula C20H14BrFN2O and a molecular weight of 397.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID3110626
Molecular FormulaC20H14BrFN2O
Molecular Weight397.25 g/mol
Exact Mass396.03
IUPAC Name2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(Br)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C20H14BrFN2O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(25)24(19)16-11-9-15(22)10-12-16/h1-12,19,23H
InChIKeyMHDIDZBAAOKNJJ-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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Related Compounds

2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
2-(4-bromophenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 3117357
2-([1,1'-biphenyl]-4-yl)-2,3-dihydroquinazolin-4(1H)-one
CID 4793207
2-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 4789050
2-Phenyl-2,3-dihydroquinazolin-4(1h)-one
CID 270800
3-(4-Methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4052597
3-benzyl-2-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3817031
3-(4-Bromophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
CID 767296
3-benzyl-6-bromo-2-mercapto-4(3H)-quinazolinone
CID 2981158
2-(4-Bromophenyl)-3-(2-diethylaminoethyl)-1,2-dihydroquinazolin-4-one
CID 2888798

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one (CID 3110626) is 2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(Br)cc2)N1c1ccc(F)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is MHDIDZBAAOKNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN2O/c21-14-7-5-13(6-8-14)19-23-18-4-2-1-3-17(18)20(25)24(19)16-11-9-15(22)10-12-16/h1-12,19,23H.
What are the key properties of 2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one?
2-(4-bromophenyl)-3-(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 2-(4-bromophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3110626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).