6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene

C25H19NO3 — CID 174922794

IUPAC6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.NC(=O)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C13H10.C12H9NO3/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;13-11(14)9-3-1-8-6-10(12(15)16)4-2-7(8)5-9/h1-8H,9H2;1-6H,(H2,13,14)(H,15,16)
InChIKeyMDSGDBTVQKFQAJ-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.05
Rot. Bonds2

About 6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene

6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene (PubChem CID 174922794) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is 6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene.

Molecular Properties

Compound Name6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene
PubChem CID174922794
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.NC(=O)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C13H10.C12H9NO3/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;13-11(14)9-3-1-8-6-10(12(15)16)4-2-7(8)5-9/h1-8H,9H2;1-6H,(H2,13,14)(H,15,16)
InChIKeyMDSGDBTVQKFQAJ-UHFFFAOYSA-N
XLogP5.05
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene 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-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene?
The IUPAC name of 6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene (CID 174922794) is 6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene.
What is the SMILES notation for 6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene?
The canonical SMILES for 6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene is C1=Cc2cccc3cccc(c23)C1.NC(=O)c1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene?
The InChIKey is MDSGDBTVQKFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C12H9NO3/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;13-11(14)9-3-1-8-6-10(12(15)16)4-2-7(8)5-9/h1-8H,9H2;1-6H,(H2,13,14)(H,15,16).
What are the key properties of 6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene?
6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene has a molecular weight of 381.43 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene is sourced from PubChem (CID 174922794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).