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

C20H15N3O3 — CID 50942439

IUPAC5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCOc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1
InChIInChI=1S/C20H15N3O3/c1-26-14-4-2-3-13(10-14)22-19-16-7-8-21-11-17(16)15-6-5-12(20(24)25)9-18(15)23-19/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyORFKRAIKKNYTFV-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.23
Rot. Bonds4

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

5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 50942439) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID50942439
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCOc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1
InChIInChI=1S/C20H15N3O3/c1-26-14-4-2-3-13(10-14)22-19-16-7-8-21-11-17(16)15-6-5-12(20(24)25)9-18(15)23-19/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyORFKRAIKKNYTFV-UHFFFAOYSA-N
XLogP4.23
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 50942439) is 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1.
What is the InChIKey of 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is ORFKRAIKKNYTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-26-14-4-2-3-13(10-14)22-19-16-7-8-21-11-17(16)15-6-5-12(20(24)25)9-18(15)23-19/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).