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

C30H46N4O6 — CID 71528058

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

bis(8-butyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid (PubChem CID 71528058) has the molecular formula C30H46N4O6 and a molecular weight of 558.72 g/mol. Its IUPAC name is bis(8-butyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid.

Molecular Properties

• Compound Name: bis(8-butyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid
• PubChem CID: 71528058
• Molecular Formula: C30H46N4O6
• Molecular Weight: 558.72 g/mol
• Exact Mass: 558.34
• IUPAC Name: bis(8-butyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid
• SMILES: CCCCN1CCCc2c1nc(C)c(O)c2C.CCCCN1CCCc2c1nc(C)c(O)c2C.O=C(O)C(=O)O
• InChI: InChI=1S/2C14H22N2O.C2H2O4/c2*1-4-5-8-16-9-6-7-12-10(2)13(17)11(3)15-14(12)16;3-1(4)2(5)6/h2*17H,4-9H2,1-3H3;(H,3,4)(H,5,6)
• InChIKey: IZXOIDPRFYOFPL-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 147.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.72
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(8-butyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid (CID 71528058) is bis(8-butyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid.

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

The canonical SMILES for bis(8-butyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid is CCCCN1CCCc2c1nc(C)c(O)c2C.CCCCN1CCCc2c1nc(C)c(O)c2C.O=C(O)C(=O)O.

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

The InChIKey is IZXOIDPRFYOFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H22N2O.C2H2O4/c2*1-4-5-8-16-9-6-7-12-10(2)13(17)11(3)15-14(12)16;3-1(4)2(5)6/h2*17H,4-9H2,1-3H3;(H,3,4)(H,5,6).

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

bis(8-butyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid has a molecular weight of 558.72 g/mol, XLogP of 5.07, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-butyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid is sourced from PubChem (CID 71528058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).