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

C14H11N3O3 — CID 50942340

IUPAC5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCONc1nc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C14H11N3O3/c1-20-17-13-10-4-5-15-7-11(10)9-3-2-8(14(18)19)6-12(9)16-13/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyOTGITUUYWVKPEM-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.45
Rot. Bonds3

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

5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 50942340) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID50942340
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCONc1nc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C14H11N3O3/c1-20-17-13-10-4-5-15-7-11(10)9-3-2-8(14(18)19)6-12(9)16-13/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyOTGITUUYWVKPEM-UHFFFAOYSA-N
XLogP2.45
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 50942340) is 5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid is CONc1nc2cc(C(=O)O)ccc2c2cnccc12.
What is the InChIKey of 5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is OTGITUUYWVKPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-17-13-10-4-5-15-7-11(10)9-3-2-8(14(18)19)6-12(9)16-13/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxyamino)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).