2-benzo[h][1,6]naphthyridin-4-ylethanol

C14H12N2O — CID 86253335

IUPAC2-benzo[h][1,6]naphthyridin-4-ylethanol
SMILESOCCc1ccnc2c1cnc1ccccc12
InChIInChI=1S/C14H12N2O/c17-8-6-10-5-7-15-14-11-3-1-2-4-13(11)16-9-12(10)14/h1-5,7,9,17H,6,8H2
InChIKeyWKKWOYZDMSEQOB-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.32
Rot. Bonds2

About 2-benzo[h][1,6]naphthyridin-4-ylethanol

2-benzo[h][1,6]naphthyridin-4-ylethanol (PubChem CID 86253335) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-benzo[h][1,6]naphthyridin-4-ylethanol.

Molecular Properties

Compound Name2-benzo[h][1,6]naphthyridin-4-ylethanol
PubChem CID86253335
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-benzo[h][1,6]naphthyridin-4-ylethanol
SMILESOCCc1ccnc2c1cnc1ccccc12
InChIInChI=1S/C14H12N2O/c17-8-6-10-5-7-15-14-11-3-1-2-4-13(11)16-9-12(10)14/h1-5,7,9,17H,6,8H2
InChIKeyWKKWOYZDMSEQOB-UHFFFAOYSA-N
XLogP2.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[h][1,6]naphthyridin-4-ylethanol?
The IUPAC name of 2-benzo[h][1,6]naphthyridin-4-ylethanol (CID 86253335) is 2-benzo[h][1,6]naphthyridin-4-ylethanol.
What is the SMILES notation for 2-benzo[h][1,6]naphthyridin-4-ylethanol?
The canonical SMILES for 2-benzo[h][1,6]naphthyridin-4-ylethanol is OCCc1ccnc2c1cnc1ccccc12.
What is the InChIKey of 2-benzo[h][1,6]naphthyridin-4-ylethanol?
The InChIKey is WKKWOYZDMSEQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-8-6-10-5-7-15-14-11-3-1-2-4-13(11)16-9-12(10)14/h1-5,7,9,17H,6,8H2.
What are the key properties of 2-benzo[h][1,6]naphthyridin-4-ylethanol?
2-benzo[h][1,6]naphthyridin-4-ylethanol has a molecular weight of 224.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[h][1,6]naphthyridin-4-ylethanol is sourced from PubChem (CID 86253335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).