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

C46H78N4O6 — CID 71528062

IUPACbis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid
SMILESCCCCCCCCCCCCN1CCCc2c1nc(C)c(O)c2C.CCCCCCCCCCCCN1CCCc2c1nc(C)c(O)c2C.O=C(O)C(=O)O
InChIInChI=1S/2C22H38N2O.C2H2O4/c2*1-4-5-6-7-8-9-10-11-12-13-16-24-17-14-15-20-18(2)21(25)19(3)23-22(20)24;3-1(4)2(5)6/h2*25H,4-17H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyCFFOGJFONMPVIN-UHFFFAOYSA-N
MW783.15 g/mol
LogP11.31
Rot. Bonds22

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

bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid (PubChem CID 71528062) has the molecular formula C46H78N4O6 and a molecular weight of 783.15 g/mol. Its IUPAC name is bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid.

Molecular Properties

Compound Namebis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid
PubChem CID71528062
Molecular FormulaC46H78N4O6
Molecular Weight783.15 g/mol
Exact Mass782.59
IUPAC Namebis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid
SMILESCCCCCCCCCCCCN1CCCc2c1nc(C)c(O)c2C.CCCCCCCCCCCCN1CCCc2c1nc(C)c(O)c2C.O=C(O)C(=O)O
InChIInChI=1S/2C22H38N2O.C2H2O4/c2*1-4-5-6-7-8-9-10-11-12-13-16-24-17-14-15-20-18(2)21(25)19(3)23-22(20)24;3-1(4)2(5)6/h2*25H,4-17H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyCFFOGJFONMPVIN-UHFFFAOYSA-N
XLogP11.31
TPSA147.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.15
LogP ≤ 511.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid?
The IUPAC name of bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid (CID 71528062) is bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid.
What is the SMILES notation for bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid?
The canonical SMILES for bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid is CCCCCCCCCCCCN1CCCc2c1nc(C)c(O)c2C.CCCCCCCCCCCCN1CCCc2c1nc(C)c(O)c2C.O=C(O)C(=O)O.
What is the InChIKey of bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid?
The InChIKey is CFFOGJFONMPVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H38N2O.C2H2O4/c2*1-4-5-6-7-8-9-10-11-12-13-16-24-17-14-15-20-18(2)21(25)19(3)23-22(20)24;3-1(4)2(5)6/h2*25H,4-17H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid?
bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid has a molecular weight of 783.15 g/mol, XLogP of 11.31, 22 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-dodecyl-2,4-dimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-ol);oxalic acid is sourced from PubChem (CID 71528062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).