5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid

C18H11N3O2 — CID 57400204

IUPAC5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccncc1)c1ccncc12
InChIInChI=1S/C18H11N3O2/c22-18(23)12-1-2-13-15-10-20-8-5-14(15)17(21-16(13)9-12)11-3-6-19-7-4-11/h1-10H,(H,22,23)
InChIKeyLEWGTGPZJKZDGR-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.54
Rot. Bonds2

About 5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid

5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 57400204) has the molecular formula C18H11N3O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID57400204
Molecular FormulaC18H11N3O2
Molecular Weight301.31 g/mol
Exact Mass301.09
IUPAC Name5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccncc1)c1ccncc12
InChIInChI=1S/C18H11N3O2/c22-18(23)12-1-2-13-15-10-20-8-5-14(15)17(21-16(13)9-12)11-3-6-19-7-4-11/h1-10H,(H,22,23)
InChIKeyLEWGTGPZJKZDGR-UHFFFAOYSA-N
XLogP3.54
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
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-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid (CID 57400204) is 5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccncc1)c1ccncc12.
What is the InChIKey of 5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is LEWGTGPZJKZDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2/c22-18(23)12-1-2-13-15-10-20-8-5-14(15)17(21-16(13)9-12)11-3-6-19-7-4-11/h1-10H,(H,22,23).
What are the key properties of 5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 301.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 57400204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).