5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid

C20H13N3O3 — CID 57394443

IUPAC5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESNC(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1
InChIInChI=1S/C20H13N3O3/c21-19(24)12-3-1-2-11(8-12)18-15-6-7-22-10-16(15)14-5-4-13(20(25)26)9-17(14)23-18/h1-10H,(H2,21,24)(H,25,26)
InChIKeyDOHNTCFPJHBCEP-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.25
Rot. Bonds3

About 5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid

5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 57394443) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID57394443
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESNC(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1
InChIInChI=1S/C20H13N3O3/c21-19(24)12-3-1-2-11(8-12)18-15-6-7-22-10-16(15)14-5-4-13(20(25)26)9-17(14)23-18/h1-10H,(H2,21,24)(H,25,26)
InChIKeyDOHNTCFPJHBCEP-UHFFFAOYSA-N
XLogP3.25
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 57394443) is 5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is NC(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1.
What is the InChIKey of 5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is DOHNTCFPJHBCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c21-19(24)12-3-1-2-11(8-12)18-15-6-7-22-10-16(15)14-5-4-13(20(25)26)9-17(14)23-18/h1-10H,(H2,21,24)(H,25,26).
What are the key properties of 5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 343.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 57394443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).