8H-isoquinolino[1,2-b]quinazoline

C16H12N2 — CID 132503377

IUPAC8H-isoquinolino[1,2-b]quinazoline
SMILESC1=CN2Cc3ccccc3N=C2c2ccccc21
InChIInChI=1S/C16H12N2/c1-3-7-14-12(5-1)9-10-18-11-13-6-2-4-8-15(13)17-16(14)18/h1-10H,11H2
InChIKeyOCUOHBLMTASIOT-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.56
Rot. Bonds

About 8H-isoquinolino[1,2-b]quinazoline

8H-isoquinolino[1,2-b]quinazoline (PubChem CID 132503377) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 8H-isoquinolino[1,2-b]quinazoline.

Molecular Properties

Compound Name8H-isoquinolino[1,2-b]quinazoline
PubChem CID132503377
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name8H-isoquinolino[1,2-b]quinazoline
SMILESC1=CN2Cc3ccccc3N=C2c2ccccc21
InChIInChI=1S/C16H12N2/c1-3-7-14-12(5-1)9-10-18-11-13-6-2-4-8-15(13)17-16(14)18/h1-10H,11H2
InChIKeyOCUOHBLMTASIOT-UHFFFAOYSA-N
XLogP3.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3H-inden-1-yl)-1H-isoquinoline
CID 174459592
iridium;tris(2-phenyl-1H-isoquinoline)
CID 158402559
5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
CID 169005273
2-(4-methylphenyl)-3-phenyl-4H-quinazoline
CID 174881000
6H-pyrazino[2,1-b]quinazoline
CID 86175135
2-(2-methylphenyl)-3-(2-phenylethyl)-4H-quinazoline
CID 174844794
3-iodo-2-methylsulfanyl-4H-quinazoline
CID 163198633
4-methyl-[1,2,4]triazino[3,2-a]isoquinoline
CID 140590948
4H-benzo[a]quinolizine-3-carboxylic acid
CID 135314294
4H-benzo[a]quinolizine-3-carboxamide
CID 140524900
3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene
CID 146184173
2,8-dihydro-1H-azeto[2,1-b]quinazoline
CID 15852512

Frequently Asked Questions

What is the IUPAC name of 8H-isoquinolino[1,2-b]quinazoline?
The IUPAC name of 8H-isoquinolino[1,2-b]quinazoline (CID 132503377) is 8H-isoquinolino[1,2-b]quinazoline.
What is the SMILES notation for 8H-isoquinolino[1,2-b]quinazoline?
The canonical SMILES for 8H-isoquinolino[1,2-b]quinazoline is C1=CN2Cc3ccccc3N=C2c2ccccc21.
What is the InChIKey of 8H-isoquinolino[1,2-b]quinazoline?
The InChIKey is OCUOHBLMTASIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-3-7-14-12(5-1)9-10-18-11-13-6-2-4-8-15(13)17-16(14)18/h1-10H,11H2.
What are the key properties of 8H-isoquinolino[1,2-b]quinazoline?
8H-isoquinolino[1,2-b]quinazoline has a molecular weight of 232.29 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-isoquinolino[1,2-b]quinazoline is sourced from PubChem (CID 132503377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).