5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid

C19H12N2O2 — CID 25253303

IUPAC5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccccc1)c1ccncc12
InChIInChI=1S/C19H12N2O2/c22-19(23)13-6-7-14-16-11-20-9-8-15(16)18(21-17(14)10-13)12-4-2-1-3-5-12/h1-11H,(H,22,23)
InChIKeyGHMUXMTYJAQMHJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.15
Rot. Bonds2

About 5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid

5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 25253303) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID25253303
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccccc1)c1ccncc12
InChIInChI=1S/C19H12N2O2/c22-19(23)13-6-7-14-16-11-20-9-8-15(16)18(21-17(14)10-13)12-4-2-1-3-5-12/h1-11H,(H,22,23)
InChIKeyGHMUXMTYJAQMHJ-UHFFFAOYSA-N
XLogP4.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid (CID 25253303) is 5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccccc1)c1ccncc12.
What is the InChIKey of 5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is GHMUXMTYJAQMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c22-19(23)13-6-7-14-16-11-20-9-8-15(16)18(21-17(14)10-13)12-4-2-1-3-5-12/h1-11H,(H,22,23).
What are the key properties of 5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 25253303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).