3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol

C12H14N2O2 — CID 167887918

IUPAC3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol
SMILESCc1ccnc2c(OCCCO)ccnc12
InChIInChI=1S/C12H14N2O2/c1-9-3-5-14-12-10(16-8-2-7-15)4-6-13-11(9)12/h3-6,15H,2,7-8H2,1H3
InChIKeyORQOQHJCUQEASY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.70
Rot. Bonds4

About 3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol

3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol (PubChem CID 167887918) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol
PubChem CID167887918
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol
SMILESCc1ccnc2c(OCCCO)ccnc12
InChIInChI=1S/C12H14N2O2/c1-9-3-5-14-12-10(16-8-2-7-15)4-6-13-11(9)12/h3-6,15H,2,7-8H2,1H3
InChIKeyORQOQHJCUQEASY-UHFFFAOYSA-N
XLogP1.70
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol?
The IUPAC name of 3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol (CID 167887918) is 3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol?
The canonical SMILES for 3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol is Cc1ccnc2c(OCCCO)ccnc12.
What is the InChIKey of 3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol?
The InChIKey is ORQOQHJCUQEASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-3-5-14-12-10(16-8-2-7-15)4-6-13-11(9)12/h3-6,15H,2,7-8H2,1H3.
What are the key properties of 3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol?
3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol has a molecular weight of 218.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol is sourced from PubChem (CID 167887918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).