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

C16H13N3 — CID 11218853

IUPAC5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine
SMILES[H]/N=c1\c2ccccc2nc2n1CCc1ccccc1-2
InChIInChI=1S/C16H13N3/c17-15-13-7-3-4-8-14(13)18-16-12-6-2-1-5-11(12)9-10-19(15)16/h1-8,17H,9-10H2/b17-15+
InChIKeyLJFVUNRZHCODLW-BMRADRMJSA-N
MW247.30 g/mol
LogP2.74
Rot. Bonds

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

5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine (PubChem CID 11218853) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine.

Molecular Properties

Compound Name5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine
PubChem CID11218853
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine
SMILES[H]/N=c1\c2ccccc2nc2n1CCc1ccccc1-2
InChIInChI=1S/C16H13N3/c17-15-13-7-3-4-8-14(13)18-16-12-6-2-1-5-11(12)9-10-19(15)16/h1-8,17H,9-10H2/b17-15+
InChIKeyLJFVUNRZHCODLW-BMRADRMJSA-N
XLogP2.74
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine?
The IUPAC name of 5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine (CID 11218853) is 5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine.
What is the SMILES notation for 5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine?
The canonical SMILES for 5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine is [H]/N=c1\c2ccccc2nc2n1CCc1ccccc1-2.
What is the InChIKey of 5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine?
The InChIKey is LJFVUNRZHCODLW-BMRADRMJSA-N. The full InChI is InChI=1S/C16H13N3/c17-15-13-7-3-4-8-14(13)18-16-12-6-2-1-5-11(12)9-10-19(15)16/h1-8,17H,9-10H2/b17-15+.
What are the key properties of 5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine?
5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine has a molecular weight of 247.30 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroisoquinolino[1,2-b]quinazolin-8-imine is sourced from PubChem (CID 11218853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).