(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one

C14H10BrFN2O — CID 41236172

IUPAC(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2ccc(Br)cc2F)Nc2ccccc21
InChIInChI=1S/C14H10BrFN2O/c15-8-5-6-9(11(16)7-8)13-17-12-4-2-1-3-10(12)14(19)18-13/h1-7,13,17H,(H,18,19)/t13-/m1/s1
InChIKeyAPGSGGYBSRXUBC-CYBMUJFWSA-N
MW321.15 g/mol
LogP3.44
Rot. Bonds1

About (2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one

(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 41236172) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is (2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID41236172
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2ccc(Br)cc2F)Nc2ccccc21
InChIInChI=1S/C14H10BrFN2O/c15-8-5-6-9(11(16)7-8)13-17-12-4-2-1-3-10(12)14(19)18-13/h1-7,13,17H,(H,18,19)/t13-/m1/s1
InChIKeyAPGSGGYBSRXUBC-CYBMUJFWSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one
CID 139228723
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 6924605
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 790493
2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one
CID 11221417
(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41143825
2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
CID 72724048
2-(3-chloro-4,5-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 46827986
3-(4-bromo-2-fluorophenyl)cyclobutan-1-one
CID 82974023
(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 25355031

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 41236172) is (2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one is O=C1N[C@H](c2ccc(Br)cc2F)Nc2ccccc21.
What is the InChIKey of (2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is APGSGGYBSRXUBC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-8-5-6-9(11(16)7-8)13-17-12-4-2-1-3-10(12)14(19)18-13/h1-7,13,17H,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one?
(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 321.15 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 41236172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).