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

C20H30N2O2 — CID 167171418

IUPAC6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one
SMILESCCCCCCCCC(C)Cn1c(=O)ccc2nc(OC)ccc21
InChIInChI=1S/C20H30N2O2/c1-4-5-6-7-8-9-10-16(2)15-22-18-12-13-19(24-3)21-17(18)11-14-20(22)23/h11-14,16H,4-10,15H2,1-3H3
InChIKeyKBBQKXDRCZYTQK-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.79
Rot. Bonds10

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

6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one (PubChem CID 167171418) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one
PubChem CID167171418
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one
SMILESCCCCCCCCC(C)Cn1c(=O)ccc2nc(OC)ccc21
InChIInChI=1S/C20H30N2O2/c1-4-5-6-7-8-9-10-16(2)15-22-18-12-13-19(24-3)21-17(18)11-14-20(22)23/h11-14,16H,4-10,15H2,1-3H3
InChIKeyKBBQKXDRCZYTQK-UHFFFAOYSA-N
XLogP4.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.79
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 6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one?
The IUPAC name of 6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one (CID 167171418) is 6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one?
The canonical SMILES for 6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one is CCCCCCCCC(C)Cn1c(=O)ccc2nc(OC)ccc21.
What is the InChIKey of 6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one?
The InChIKey is KBBQKXDRCZYTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-5-6-7-8-9-10-16(2)15-22-18-12-13-19(24-3)21-17(18)11-14-20(22)23/h11-14,16H,4-10,15H2,1-3H3.
What are the key properties of 6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one?
6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one has a molecular weight of 330.47 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-methyldecyl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 167171418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).