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

C20H14N2O3 — CID 57398529

IUPAC5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCOc1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1
InChIInChI=1S/C20H14N2O3/c1-25-14-4-2-3-12(9-14)19-16-7-8-21-11-17(16)15-6-5-13(20(23)24)10-18(15)22-19/h2-11H,1H3,(H,23,24)
InChIKeyCINIRJLZWOCOCA-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.16
Rot. Bonds3

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

5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 57398529) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID57398529
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCOc1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1
InChIInChI=1S/C20H14N2O3/c1-25-14-4-2-3-12(9-14)19-16-7-8-21-11-17(16)15-6-5-13(20(23)24)10-18(15)22-19/h2-11H,1H3,(H,23,24)
InChIKeyCINIRJLZWOCOCA-UHFFFAOYSA-N
XLogP4.16
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.16
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-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 57398529) is 5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is COc1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1.
What is the InChIKey of 5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is CINIRJLZWOCOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-25-14-4-2-3-12(9-14)19-16-7-8-21-11-17(16)15-6-5-13(20(23)24)10-18(15)22-19/h2-11H,1H3,(H,23,24).
What are the key properties of 5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 57398529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).