1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one

C36H62N2O2 — CID 176815229

IUPAC1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)ccc2nc(OC)ccc21
InChIInChI=1S/C36H62N2O2/c1-4-6-8-10-12-14-15-17-19-21-25-32(24-20-18-16-13-11-9-7-5-2)26-22-23-31-38-34-28-29-35(40-3)37-33(34)27-30-36(38)39/h27-30,32H,4-26,31H2,1-3H3
InChIKeyWTGUZAQEBVEULZ-UHFFFAOYSA-N
MW554.90 g/mol
LogP11.03
Rot. Bonds26

About 1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one

1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one (PubChem CID 176815229) has the molecular formula C36H62N2O2 and a molecular weight of 554.90 g/mol. Its IUPAC name is 1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one
PubChem CID176815229
Molecular FormulaC36H62N2O2
Molecular Weight554.90 g/mol
Exact Mass554.48
IUPAC Name1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)ccc2nc(OC)ccc21
InChIInChI=1S/C36H62N2O2/c1-4-6-8-10-12-14-15-17-19-21-25-32(24-20-18-16-13-11-9-7-5-2)26-22-23-31-38-34-28-29-35(40-3)37-33(34)27-30-36(38)39/h27-30,32H,4-26,31H2,1-3H3
InChIKeyWTGUZAQEBVEULZ-UHFFFAOYSA-N
XLogP11.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.90
LogP ≤ 511.03
H-Bond Donors ≤ 50
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 1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one (CID 176815229) is 1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one is CCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)ccc2nc(OC)ccc21.
What is the InChIKey of 1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one?
The InChIKey is WTGUZAQEBVEULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N2O2/c1-4-6-8-10-12-14-15-17-19-21-25-32(24-20-18-16-13-11-9-7-5-2)26-22-23-31-38-34-28-29-35(40-3)37-33(34)27-30-36(38)39/h27-30,32H,4-26,31H2,1-3H3.
What are the key properties of 1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one?
1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one has a molecular weight of 554.90 g/mol, XLogP of 11.03, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 176815229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).