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

C22H30N4O6 — CID 71527953

IUPACbis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid
SMILESCc1nc2c(c(C)c1O)CCCN2.Cc1nc2c(c(C)c1O)CCCN2.O=C(O)C(=O)O
InChIInChI=1S/2C10H14N2O.C2H2O4/c2*1-6-8-4-3-5-11-10(8)12-7(2)9(6)13;3-1(4)2(5)6/h2*13H,3-5H2,1-2H3,(H,11,12);(H,3,4)(H,5,6)
InChIKeyVUEOEGDOLYKOJY-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.68
Rot. Bonds

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

bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid (PubChem CID 71527953) has the molecular formula C22H30N4O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid.

Molecular Properties

Compound Namebis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid
PubChem CID71527953
Molecular FormulaC22H30N4O6
Molecular Weight446.50 g/mol
Exact Mass446.22
IUPAC Namebis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid
SMILESCc1nc2c(c(C)c1O)CCCN2.Cc1nc2c(c(C)c1O)CCCN2.O=C(O)C(=O)O
InChIInChI=1S/2C10H14N2O.C2H2O4/c2*1-6-8-4-3-5-11-10(8)12-7(2)9(6)13;3-1(4)2(5)6/h2*13H,3-5H2,1-2H3,(H,11,12);(H,3,4)(H,5,6)
InChIKeyVUEOEGDOLYKOJY-UHFFFAOYSA-N
XLogP2.68
TPSA164.90 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 52.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid?
The IUPAC name of bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid (CID 71527953) is bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid.
What is the SMILES notation for bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid?
The canonical SMILES for bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid is Cc1nc2c(c(C)c1O)CCCN2.Cc1nc2c(c(C)c1O)CCCN2.O=C(O)C(=O)O.
What is the InChIKey of bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid?
The InChIKey is VUEOEGDOLYKOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N2O.C2H2O4/c2*1-6-8-4-3-5-11-10(8)12-7(2)9(6)13;3-1(4)2(5)6/h2*13H,3-5H2,1-2H3,(H,11,12);(H,3,4)(H,5,6).
What are the key properties of bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid?
bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid has a molecular weight of 446.50 g/mol, XLogP of 2.68, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-ol);oxalic acid is sourced from PubChem (CID 71527953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).