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

C17H9ClN2O2S — CID 25252840

IUPAC5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)s1)c1ccncc12
InChIInChI=1S/C17H9ClN2O2S/c18-15-4-3-14(23-15)16-11-5-6-19-8-12(11)10-2-1-9(17(21)22)7-13(10)20-16/h1-8H,(H,21,22)
InChIKeyXOKDMAFZEUXYFE-UHFFFAOYSA-N
MW340.79 g/mol
LogP4.86
Rot. Bonds2

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

5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 25252840) has the molecular formula C17H9ClN2O2S and a molecular weight of 340.79 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID25252840
Molecular FormulaC17H9ClN2O2S
Molecular Weight340.79 g/mol
Exact Mass340.01
IUPAC Name5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)s1)c1ccncc12
InChIInChI=1S/C17H9ClN2O2S/c18-15-4-3-14(23-15)16-11-5-6-19-8-12(11)10-2-1-9(17(21)22)7-13(10)20-16/h1-8H,(H,21,22)
InChIKeyXOKDMAFZEUXYFE-UHFFFAOYSA-N
XLogP4.86
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 54.86
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-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 25252840) is 5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)s1)c1ccncc12.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is XOKDMAFZEUXYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN2O2S/c18-15-4-3-14(23-15)16-11-5-6-19-8-12(11)10-2-1-9(17(21)22)7-13(10)20-16/h1-8H,(H,21,22).
What are the key properties of 5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 340.79 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 25252840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).