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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Related Compounds

2-(5-Chlorothiophen-2-yl)quinoline-4-carboxylic acid
CID 625773
5-(4-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253151
5-Thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252996
5-(3-Chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57399601
2-(5-Ethylthiophen-2-yl)quinoline-4-carboxylic acid
CID 753050
3-{4-[1-(5-Chloro-thiophen-2-ylmethyl)-1H-indol-3-yl]-piperidin-1-ylmethyl}-benzoic acid
CID 10205121
5-(3-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252993
5-Phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253303
5-(4-Methylthiophen-3-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25254090
Methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate
CID 57401422
(4Z)-2-methyl-4-[(3-methylthiophen-2-yl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid;hydrochloride
CID 16242833
(4Z)-2-ethyl-4-[(3-methylthiophen-2-yl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid;hydrochloride
CID 16246687

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).