2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one

C16H11BrN2O — CID 51360864

IUPAC2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one
SMILESO=c1c2ccccc2nc2n1CCc1ccc(Br)cc1-2
InChIInChI=1S/C16H11BrN2O/c17-11-6-5-10-7-8-19-15(13(10)9-11)18-14-4-2-1-3-12(14)16(19)20/h1-6,9H,7-8H2
InChIKeyCUYLCNPIZGDWIN-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.38
Rot. Bonds

About 2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one

2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one (PubChem CID 51360864) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one.

Molecular Properties

Compound Name2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one
PubChem CID51360864
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one
SMILESO=c1c2ccccc2nc2n1CCc1ccc(Br)cc1-2
InChIInChI=1S/C16H11BrN2O/c17-11-6-5-10-7-8-19-15(13(10)9-11)18-14-4-2-1-3-12(14)16(19)20/h1-6,9H,7-8H2
InChIKeyCUYLCNPIZGDWIN-UHFFFAOYSA-N
XLogP3.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8,9-dihydro-7H-pyrido[2,1-b]quinazoline-6,11-dione
CID 11275922
3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 604015
5-bromo-12-phenyl-11-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1,3(8),4,6,12,15,17,19-octaene-14,21-dione
CID 164669690
5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine
CID 11218853
3-amino-2-(4-bromophenyl)quinazolin-4-one
CID 3604136
2-bromo-5,6-dihydrobenzo[c]acridin-7-amine
CID 46889356
6-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 136734737
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one
CID 73348272
2-(5-bromo-1-benzofuran-2-yl)-3-[(1-methylpyrrol-2-yl)methylideneamino]quinazolin-4-one
CID 126304899
6-fluoro-14-thia-1,9-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-3(8),4,6,9,11(15),12-hexaen-2-one
CID 102203870
(3E)-3-[(5-bromo-2-fluorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 29423368

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one?
The IUPAC name of 2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one (CID 51360864) is 2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one.
What is the SMILES notation for 2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one?
The canonical SMILES for 2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one is O=c1c2ccccc2nc2n1CCc1ccc(Br)cc1-2.
What is the InChIKey of 2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one?
The InChIKey is CUYLCNPIZGDWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-11-6-5-10-7-8-19-15(13(10)9-11)18-14-4-2-1-3-12(14)16(19)20/h1-6,9H,7-8H2.
What are the key properties of 2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one?
2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one has a molecular weight of 327.18 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one is sourced from PubChem (CID 51360864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).