5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one

C16H14N2O — CID 3576033

IUPAC5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one
SMILESO=C1c2ccccc2NC2Cc3ccccc3CN12
InChIInChI=1S/C16H14N2O/c19-16-13-7-3-4-8-14(13)17-15-9-11-5-1-2-6-12(11)10-18(15)16/h1-8,15,17H,9-10H2
InChIKeySBKOMJJZYQZCEU-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.64
Rot. Bonds

About 5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one

5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one (PubChem CID 3576033) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one.

Molecular Properties

Compound Name5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one
PubChem CID3576033
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one
SMILESO=C1c2ccccc2NC2Cc3ccccc3CN12
InChIInChI=1S/C16H14N2O/c19-16-13-7-3-4-8-14(13)17-15-9-11-5-1-2-6-12(11)10-18(15)16/h1-8,15,17H,9-10H2
InChIKeySBKOMJJZYQZCEU-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one?
The IUPAC name of 5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one (CID 3576033) is 5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one.
What is the SMILES notation for 5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one?
The canonical SMILES for 5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one is O=C1c2ccccc2NC2Cc3ccccc3CN12.
What is the InChIKey of 5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one?
The InChIKey is SBKOMJJZYQZCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-13-7-3-4-8-14(13)17-15-9-11-5-1-2-6-12(11)10-18(15)16/h1-8,15,17H,9-10H2.
What are the key properties of 5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one?
5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one has a molecular weight of 250.30 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one is sourced from PubChem (CID 3576033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).