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

C20H14N2O2 — CID 57394444

IUPAC5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCc1ccccc1-c1nc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C20H14N2O2/c1-12-4-2-3-5-14(12)19-16-8-9-21-11-17(16)15-7-6-13(20(23)24)10-18(15)22-19/h2-11H,1H3,(H,23,24)
InChIKeySKUPJKXYVJOPDL-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.46
Rot. Bonds2

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

5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 57394444) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID57394444
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCc1ccccc1-c1nc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C20H14N2O2/c1-12-4-2-3-5-14(12)19-16-8-9-21-11-17(16)15-7-6-13(20(23)24)10-18(15)22-19/h2-11H,1H3,(H,23,24)
InChIKeySKUPJKXYVJOPDL-UHFFFAOYSA-N
XLogP4.46
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.46
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-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 57394444) is 5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is Cc1ccccc1-c1nc2cc(C(=O)O)ccc2c2cnccc12.
What is the InChIKey of 5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is SKUPJKXYVJOPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c1-12-4-2-3-5-14(12)19-16-8-9-21-11-17(16)15-7-6-13(20(23)24)10-18(15)22-19/h2-11H,1H3,(H,23,24).
What are the key properties of 5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 57394444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).