2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one

C14H12BrN3O — CID 139228723

IUPAC2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one
SMILESNc1ccccc1C1NC(=O)c2cc(Br)ccc2N1
InChIInChI=1S/C14H12BrN3O/c15-8-5-6-12-10(7-8)14(19)18-13(17-12)9-3-1-2-4-11(9)16/h1-7,13,17H,16H2,(H,18,19)
InChIKeyVQYWFCMBTFVFGT-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.89
Rot. Bonds1

About 2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one

2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 139228723) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one
PubChem CID139228723
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one
SMILESNc1ccccc1C1NC(=O)c2cc(Br)ccc2N1
InChIInChI=1S/C14H12BrN3O/c15-8-5-6-12-10(7-8)14(19)18-13(17-12)9-3-1-2-4-11(9)16/h1-7,13,17H,16H2,(H,18,19)
InChIKeyVQYWFCMBTFVFGT-UHFFFAOYSA-N
XLogP2.89
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41236172
2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one
CID 11221417
7-bromo-3-(2-phenylethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 10784666
6-fluoro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 18403958
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
2-aminobenzamide;2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 70206488
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
(3S)-5-bromo-3-hydroxy-2,3-dihydroisoindol-1-one
CID 86314575
(3R)-5-bromo-3-methyl-2,3-dihydroisoindol-1-one
CID 146160555
6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 176555493
10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 121446796

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one (CID 139228723) is 2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one is Nc1ccccc1C1NC(=O)c2cc(Br)ccc2N1.
What is the InChIKey of 2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is VQYWFCMBTFVFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-8-5-6-12-10(7-8)14(19)18-13(17-12)9-3-1-2-4-11(9)16/h1-7,13,17H,16H2,(H,18,19).
What are the key properties of 2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one?
2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 318.17 g/mol, XLogP of 2.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-6-bromo-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 139228723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).