2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol

C18H30N2O — CID 71528061

IUPAC2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol
SMILESCCCCCCCCN1CCCc2c1nc(C)c(O)c2C
InChIInChI=1S/C18H30N2O/c1-4-5-6-7-8-9-12-20-13-10-11-16-14(2)17(21)15(3)19-18(16)20/h21H,4-13H2,1-3H3
InChIKeyYTBUAMFOPKOBED-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.52
Rot. Bonds7

About 2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol

2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol (PubChem CID 71528061) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol
PubChem CID71528061
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol
SMILESCCCCCCCCN1CCCc2c1nc(C)c(O)c2C
InChIInChI=1S/C18H30N2O/c1-4-5-6-7-8-9-12-20-13-10-11-16-14(2)17(21)15(3)19-18(16)20/h21H,4-13H2,1-3H3
InChIKeyYTBUAMFOPKOBED-UHFFFAOYSA-N
XLogP4.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol?
The IUPAC name of 2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol (CID 71528061) is 2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol.
What is the SMILES notation for 2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol?
The canonical SMILES for 2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol is CCCCCCCCN1CCCc2c1nc(C)c(O)c2C.
What is the InChIKey of 2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol?
The InChIKey is YTBUAMFOPKOBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-6-7-8-9-12-20-13-10-11-16-14(2)17(21)15(3)19-18(16)20/h21H,4-13H2,1-3H3.
What are the key properties of 2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol?
2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol has a molecular weight of 290.45 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol is sourced from PubChem (CID 71528061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).