5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid

C14H10N2O6 — CID 57367544

IUPAC5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid
SMILESNC(=O)c1ccc(C(N)=O)c2c(C(=O)O)ccc(C(=O)O)c12
InChIInChI=1S/C14H10N2O6/c15-11(17)5-1-2-6(12(16)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H2,15,17)(H2,16,18)(H,19,20)(H,21,22)
InChIKeyRJCHVBHJXJDUNL-UHFFFAOYSA-N
MW302.24 g/mol
LogP0.43
Rot. Bonds4

About 5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid

5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid (PubChem CID 57367544) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid
PubChem CID57367544
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid
SMILESNC(=O)c1ccc(C(N)=O)c2c(C(=O)O)ccc(C(=O)O)c12
InChIInChI=1S/C14H10N2O6/c15-11(17)5-1-2-6(12(16)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H2,15,17)(H2,16,18)(H,19,20)(H,21,22)
InChIKeyRJCHVBHJXJDUNL-UHFFFAOYSA-N
XLogP0.43
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid?
The IUPAC name of 5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid (CID 57367544) is 5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid.
What is the SMILES notation for 5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid?
The canonical SMILES for 5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid is NC(=O)c1ccc(C(N)=O)c2c(C(=O)O)ccc(C(=O)O)c12.
What is the InChIKey of 5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid?
The InChIKey is RJCHVBHJXJDUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c15-11(17)5-1-2-6(12(16)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H2,15,17)(H2,16,18)(H,19,20)(H,21,22).
What are the key properties of 5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid?
5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid has a molecular weight of 302.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dicarbamoylnaphthalene-1,4-dicarboxylic acid is sourced from PubChem (CID 57367544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).