2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol

C16H12N2O — CID 137241659

IUPAC2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol
SMILESOc1cc2c(c3cc4ccccc4cc13)=NCCN=2
InChIInChI=1S/C16H12N2O/c19-15-9-14-16(18-6-5-17-14)13-8-11-4-2-1-3-10(11)7-12(13)15/h1-4,7-9,19H,5-6H2
InChIKeyWZONZOFKEPZUEI-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.95
Rot. Bonds

About 2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol

2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol (PubChem CID 137241659) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is 2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol.

Molecular Properties

Compound Name2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol
PubChem CID137241659
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol
SMILESOc1cc2c(c3cc4ccccc4cc13)=NCCN=2
InChIInChI=1S/C16H12N2O/c19-15-9-14-16(18-6-5-17-14)13-8-11-4-2-1-3-10(11)7-12(13)15/h1-4,7-9,19H,5-6H2
InChIKeyWZONZOFKEPZUEI-UHFFFAOYSA-N
XLogP1.95
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
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 2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol?
The IUPAC name of 2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol (CID 137241659) is 2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol.
What is the SMILES notation for 2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol?
The canonical SMILES for 2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol is Oc1cc2c(c3cc4ccccc4cc13)=NCCN=2.
What is the InChIKey of 2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol?
The InChIKey is WZONZOFKEPZUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-15-9-14-16(18-6-5-17-14)13-8-11-4-2-1-3-10(11)7-12(13)15/h1-4,7-9,19H,5-6H2.
What are the key properties of 2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol?
2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol has a molecular weight of 248.28 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydronaphtho[2,3-f]quinoxalin-6-ol is sourced from PubChem (CID 137241659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).