2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one

C14H10BrClN2O — CID 11221417

IUPAC2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccc(Br)c2)Nc2ccc(Cl)cc21
InChIInChI=1S/C14H10BrClN2O/c15-9-3-1-2-8(6-9)13-17-12-5-4-10(16)7-11(12)14(19)18-13/h1-7,13,17H,(H,18,19)
InChIKeyHBNNIMVLHVQGRH-UHFFFAOYSA-N
MW337.60 g/mol
LogP3.96
Rot. Bonds1

About 2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one

2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 11221417) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one
PubChem CID11221417
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccc(Br)c2)Nc2ccc(Cl)cc21
InChIInChI=1S/C14H10BrClN2O/c15-9-3-1-2-8(6-9)13-17-12-5-4-10(16)7-11(12)14(19)18-13/h1-7,13,17H,(H,18,19)
InChIKeyHBNNIMVLHVQGRH-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 47409940
6-chloro-2-sulfanyl-2,3-dihydro-1H-quinazolin-4-one
CID 155669394
6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one
CID 91010488
6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 18403958
2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one
CID 139228723
(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41236172
7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 11794128
(2S)-6-nitro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 129390666
(2R)-7-chloro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 94796382
2-(3-bromophenyl)imidazolidine
CID 57237390
2-(3-chloro-4,5-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 46827986
5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 164880766

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one (CID 11221417) is 2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2cccc(Br)c2)Nc2ccc(Cl)cc21.
What is the InChIKey of 2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is HBNNIMVLHVQGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-9-3-1-2-8(6-9)13-17-12-5-4-10(16)7-11(12)14(19)18-13/h1-7,13,17H,(H,18,19).
What are the key properties of 2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one?
2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 337.60 g/mol, XLogP of 3.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 11221417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).