7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol

C16H14N2O — CID 91304275

IUPAC7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol
SMILESOC1Cc2nnc3ccccc3c2C2CC=CC=C12
InChIInChI=1S/C16H14N2O/c19-15-9-14-16(11-6-2-1-5-10(11)15)12-7-3-4-8-13(12)17-18-14/h1-5,7-8,11,15,19H,6,9H2
InChIKeyGIAQPJSGOLFLDR-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.52
Rot. Bonds

About 7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol

7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol (PubChem CID 91304275) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol.

Molecular Properties

Compound Name7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol
PubChem CID91304275
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol
SMILESOC1Cc2nnc3ccccc3c2C2CC=CC=C12
InChIInChI=1S/C16H14N2O/c19-15-9-14-16(11-6-2-1-5-10(11)15)12-7-3-4-8-13(12)17-18-14/h1-5,7-8,11,15,19H,6,9H2
InChIKeyGIAQPJSGOLFLDR-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol?
The IUPAC name of 7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol (CID 91304275) is 7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol.
What is the SMILES notation for 7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol?
The canonical SMILES for 7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol is OC1Cc2nnc3ccccc3c2C2CC=CC=C12.
What is the InChIKey of 7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol?
The InChIKey is GIAQPJSGOLFLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-15-9-14-16(11-6-2-1-5-10(11)15)12-7-3-4-8-13(12)17-18-14/h1-5,7-8,11,15,19H,6,9H2.
What are the key properties of 7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol?
7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol has a molecular weight of 250.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,12,12a-tetrahydronaphtho[2,1-c]cinnolin-8-ol is sourced from PubChem (CID 91304275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).