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

C18H12N2O2S — CID 25254089

IUPAC5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCc1ccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)s1
InChIInChI=1S/C18H12N2O2S/c1-10-2-5-16(23-10)17-13-6-7-19-9-14(13)12-4-3-11(18(21)22)8-15(12)20-17/h2-9H,1H3,(H,21,22)
InChIKeyPYCVUAMFEKKUPH-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.52
Rot. Bonds2

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

5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 25254089) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID25254089
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCc1ccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)s1
InChIInChI=1S/C18H12N2O2S/c1-10-2-5-16(23-10)17-13-6-7-19-9-14(13)12-4-3-11(18(21)22)8-15(12)20-17/h2-9H,1H3,(H,21,22)
InChIKeyPYCVUAMFEKKUPH-UHFFFAOYSA-N
XLogP4.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.52
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-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 25254089) is 5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid is Cc1ccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is PYCVUAMFEKKUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c1-10-2-5-16(23-10)17-13-6-7-19-9-14(13)12-4-3-11(18(21)22)8-15(12)20-17/h2-9H,1H3,(H,21,22).
What are the key properties of 5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 25254089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).