6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid

C25H17NO4 — CID 70000365

IUPAC6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(O)c(C(=O)NC3C=Cc4cccc5cccc3c45)cc2c1
InChIInChI=1S/C25H17NO4/c27-22-13-16-7-8-17(25(29)30)11-18(16)12-20(22)24(28)26-21-10-9-15-4-1-3-14-5-2-6-19(21)23(14)15/h1-13,21,27H,(H,26,28)(H,29,30)
InChIKeyIEBDIXBHXZBHLR-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.89
Rot. Bonds3

About 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid

6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid (PubChem CID 70000365) has the molecular formula C25H17NO4 and a molecular weight of 395.41 g/mol. Its IUPAC name is 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid
PubChem CID70000365
Molecular FormulaC25H17NO4
Molecular Weight395.41 g/mol
Exact Mass395.12
IUPAC Name6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(O)c(C(=O)NC3C=Cc4cccc5cccc3c45)cc2c1
InChIInChI=1S/C25H17NO4/c27-22-13-16-7-8-17(25(29)30)11-18(16)12-20(22)24(28)26-21-10-9-15-4-1-3-14-5-2-6-19(21)23(14)15/h1-13,21,27H,(H,26,28)(H,29,30)
InChIKeyIEBDIXBHXZBHLR-UHFFFAOYSA-N
XLogP4.89
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid (CID 70000365) is 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(O)c(C(=O)NC3C=Cc4cccc5cccc3c45)cc2c1.
What is the InChIKey of 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid?
The InChIKey is IEBDIXBHXZBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO4/c27-22-13-16-7-8-17(25(29)30)11-18(16)12-20(22)24(28)26-21-10-9-15-4-1-3-14-5-2-6-19(21)23(14)15/h1-13,21,27H,(H,26,28)(H,29,30).
What are the key properties of 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid?
6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid has a molecular weight of 395.41 g/mol, XLogP of 4.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 70000365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).