6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one

C32H54N2O2 — CID 140959640

IUPAC6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one
SMILESCCCCCCCCCCCCOc1cnc2c(ccc(=O)n2CCCCCCCCCCCC)c1
InChIInChI=1S/C32H54N2O2/c1-3-5-7-9-11-13-15-17-19-21-25-34-31(35)24-23-29-27-30(28-33-32(29)34)36-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3
InChIKeyOUCKHYDRRJSIFF-UHFFFAOYSA-N
MW498.80 g/mol
LogP9.62
Rot. Bonds23

About 6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one

6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one (PubChem CID 140959640) has the molecular formula C32H54N2O2 and a molecular weight of 498.80 g/mol. Its IUPAC name is 6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one
PubChem CID140959640
Molecular FormulaC32H54N2O2
Molecular Weight498.80 g/mol
Exact Mass498.42
IUPAC Name6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one
SMILESCCCCCCCCCCCCOc1cnc2c(ccc(=O)n2CCCCCCCCCCCC)c1
InChIInChI=1S/C32H54N2O2/c1-3-5-7-9-11-13-15-17-19-21-25-34-31(35)24-23-29-27-30(28-33-32(29)34)36-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3
InChIKeyOUCKHYDRRJSIFF-UHFFFAOYSA-N
XLogP9.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.80
LogP ≤ 59.62
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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Related Compounds

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CID 70112446
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CID 139718059
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
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CID 151702579
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Frequently Asked Questions

What is the IUPAC name of 6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one?
The IUPAC name of 6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one (CID 140959640) is 6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one?
The canonical SMILES for 6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one is CCCCCCCCCCCCOc1cnc2c(ccc(=O)n2CCCCCCCCCCCC)c1.
What is the InChIKey of 6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one?
The InChIKey is OUCKHYDRRJSIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N2O2/c1-3-5-7-9-11-13-15-17-19-21-25-34-31(35)24-23-29-27-30(28-33-32(29)34)36-26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3.
What are the key properties of 6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one?
6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one has a molecular weight of 498.80 g/mol, XLogP of 9.62, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 140959640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).