2H-isoquinolino[3,4-b]quinolin-1-one

C16H10N2O — CID 66764701

IUPAC2H-isoquinolino[3,4-b]quinolin-1-one
SMILESO=C1CC=Cc2cnc3nc4ccccc4cc3c21
InChIInChI=1S/C16H10N2O/c19-14-7-3-5-11-9-17-16-12(15(11)14)8-10-4-1-2-6-13(10)18-16/h1-6,8-9H,7H2
InChIKeyORRXKLFYUPIWHF-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.38
Rot. Bonds

About 2H-isoquinolino[3,4-b]quinolin-1-one

2H-isoquinolino[3,4-b]quinolin-1-one (PubChem CID 66764701) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2H-isoquinolino[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name2H-isoquinolino[3,4-b]quinolin-1-one
PubChem CID66764701
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name2H-isoquinolino[3,4-b]quinolin-1-one
SMILESO=C1CC=Cc2cnc3nc4ccccc4cc3c21
InChIInChI=1S/C16H10N2O/c19-14-7-3-5-11-9-17-16-12(15(11)14)8-10-4-1-2-6-13(10)18-16/h1-6,8-9H,7H2
InChIKeyORRXKLFYUPIWHF-UHFFFAOYSA-N
XLogP3.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-isoquinolino[3,4-b]quinolin-1-one?
The IUPAC name of 2H-isoquinolino[3,4-b]quinolin-1-one (CID 66764701) is 2H-isoquinolino[3,4-b]quinolin-1-one.
What is the SMILES notation for 2H-isoquinolino[3,4-b]quinolin-1-one?
The canonical SMILES for 2H-isoquinolino[3,4-b]quinolin-1-one is O=C1CC=Cc2cnc3nc4ccccc4cc3c21.
What is the InChIKey of 2H-isoquinolino[3,4-b]quinolin-1-one?
The InChIKey is ORRXKLFYUPIWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c19-14-7-3-5-11-9-17-16-12(15(11)14)8-10-4-1-2-6-13(10)18-16/h1-6,8-9H,7H2.
What are the key properties of 2H-isoquinolino[3,4-b]quinolin-1-one?
2H-isoquinolino[3,4-b]quinolin-1-one has a molecular weight of 246.27 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 2H-isoquinolino[3,4-b]quinolin-1-one is sourced from PubChem (CID 66764701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).