(6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one

C17H15NO — CID 7055655

IUPAC(6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one
SMILESO=C1c2ccccc2C[C@@H]2CCc3ccccc3N12
InChIInChI=1S/C17H15NO/c19-17-15-7-3-1-6-13(15)11-14-10-9-12-5-2-4-8-16(12)18(14)17/h1-8,14H,9-11H2/t14-/m0/s1
InChIKeyIORQAFQELAJXRD-AWEZNQCLSA-N
MW249.31 g/mol
LogP3.20
Rot. Bonds

About (6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one

(6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one (PubChem CID 7055655) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one.

Molecular Properties

Compound Name(6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one
PubChem CID7055655
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one
SMILESO=C1c2ccccc2C[C@@H]2CCc3ccccc3N12
InChIInChI=1S/C17H15NO/c19-17-15-7-3-1-6-13(15)11-14-10-9-12-5-2-4-8-16(12)18(14)17/h1-8,14H,9-11H2/t14-/m0/s1
InChIKeyIORQAFQELAJXRD-AWEZNQCLSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one?
The IUPAC name of (6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one (CID 7055655) is (6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one.
What is the SMILES notation for (6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one?
The canonical SMILES for (6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one is O=C1c2ccccc2C[C@@H]2CCc3ccccc3N12.
What is the InChIKey of (6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one?
The InChIKey is IORQAFQELAJXRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15NO/c19-17-15-7-3-1-6-13(15)11-14-10-9-12-5-2-4-8-16(12)18(14)17/h1-8,14H,9-11H2/t14-/m0/s1.
What are the key properties of (6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one?
(6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one has a molecular weight of 249.31 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-5,6,6a,7-tetrahydroisoquinolino[2,3-a]quinolin-12-one is sourced from PubChem (CID 7055655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).