bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid

C38H62N4O6 — CID 71528060

About bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid

bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid (PubChem CID 71528060) has the molecular formula C38H62N4O6 and a molecular weight of 670.94 g/mol. Its IUPAC name is bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid.

Molecular Properties

• Compound Name: bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid
• PubChem CID: 71528060
• Molecular Formula: C38H62N4O6
• Molecular Weight: 670.94 g/mol
• Exact Mass: 670.47
• IUPAC Name: bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid
• SMILES: CCCCCCCCN1CCCc2c1nc(C)c(O)c2C.CCCCCCCCN1CCCc2c1nc(C)c(O)c2C.O=C(O)C(=O)O
• InChI: InChI=1S/2C18H30N2O.C2H2O4/c2*1-4-5-6-7-8-9-12-20-13-10-11-16-14(2)17(21)15(3)19-18(16)20;3-1(4)2(5)6/h2*21H,4-13H2,1-3H3;(H,3,4)(H,5,6)
• InChIKey: BKEYVMYYNNWVLK-UHFFFAOYSA-N
• XLogP: 8.19
• TPSA: 147.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.94
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid?

The IUPAC name of bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid (CID 71528060) is bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid.

What is the SMILES notation for bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid?

The canonical SMILES for bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid is CCCCCCCCN1CCCc2c1nc(C)c(O)c2C.CCCCCCCCN1CCCc2c1nc(C)c(O)c2C.O=C(O)C(=O)O.

What is the InChIKey of bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid?

The InChIKey is BKEYVMYYNNWVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H30N2O.C2H2O4/c2*1-4-5-6-7-8-9-12-20-13-10-11-16-14(2)17(21)15(3)19-18(16)20;3-1(4)2(5)6/h2*21H,4-13H2,1-3H3;(H,3,4)(H,5,6).

What are the key properties of bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid?

bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid has a molecular weight of 670.94 g/mol, XLogP of 8.19, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethyl-8-octyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid is sourced from PubChem (CID 71528060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).