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

C19H13N3O2 — CID 25253460

IUPAC5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESNc1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1
InChIInChI=1S/C19H13N3O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,20H2,(H,23,24)
InChIKeyCHUQVSURYWXKPA-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.73
Rot. Bonds2

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

5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 25253460) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID25253460
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESNc1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1
InChIInChI=1S/C19H13N3O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,20H2,(H,23,24)
InChIKeyCHUQVSURYWXKPA-UHFFFAOYSA-N
XLogP3.73
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 25253460) is 5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is Nc1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1.
What is the InChIKey of 5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is CHUQVSURYWXKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,20H2,(H,23,24).
What are the key properties of 5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 25253460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).