5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid

C13H9N3O2 — CID 58213546

IUPAC5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid
SMILESNc1nc2cc(C(=O)O)ccc2c2cccnc12
InChIInChI=1S/C13H9N3O2/c14-12-11-9(2-1-5-15-11)8-4-3-7(13(17)18)6-10(8)16-12/h1-6H,(H2,14,16)(H,17,18)
InChIKeyYALFRGWQBJKAEA-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.06
Rot. Bonds1

About 5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid

5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid (PubChem CID 58213546) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid
PubChem CID58213546
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid
SMILESNc1nc2cc(C(=O)O)ccc2c2cccnc12
InChIInChI=1S/C13H9N3O2/c14-12-11-9(2-1-5-15-11)8-4-3-7(13(17)18)6-10(8)16-12/h1-6H,(H2,14,16)(H,17,18)
InChIKeyYALFRGWQBJKAEA-UHFFFAOYSA-N
XLogP2.06
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.06
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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Related Compounds

8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine
CID 58213779
8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine
CID 66892362
ethane;quinoline-6-carboxylic acid
CID 91364452
2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid
CID 122688052
2-amino-4-methylquinoline-7-carboxylic acid
CID 14359530
4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid
CID 135833192
3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene-6,16,26-tricarboxylic acid;hexakis(yttrium)
CID 91866629
N-methyl-N-phenylquinoxalino[2,3-f][4,7]phenanthroline-11-carboxamide
CID 4652927
5-amino-1,6-naphthyridine-8-carboxylic acid
CID 73425151
quinoxaline-6-carboxylic acid chloride
CID 86626600
2,4-dimethylquinazoline-7-carboxylic acid
CID 143096640
3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
CID 71344750

Frequently Asked Questions

What is the IUPAC name of 5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid (CID 58213546) is 5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid is Nc1nc2cc(C(=O)O)ccc2c2cccnc12.
What is the InChIKey of 5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid?
The InChIKey is YALFRGWQBJKAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-12-11-9(2-1-5-15-11)8-4-3-7(13(17)18)6-10(8)16-12/h1-6H,(H2,14,16)(H,17,18).
What are the key properties of 5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid?
5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 58213546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).