5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid

C17H10N2O2S — CID 25252996

IUPAC5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccsc1)c1ccncc12
InChIInChI=1S/C17H10N2O2S/c20-17(21)10-1-2-12-14-8-18-5-3-13(14)16(19-15(12)7-10)11-4-6-22-9-11/h1-9H,(H,20,21)
InChIKeyAFSNNEJIKHHNDD-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.21
Rot. Bonds2

About 5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid

5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 25252996) has the molecular formula C17H10N2O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID25252996
Molecular FormulaC17H10N2O2S
Molecular Weight306.35 g/mol
Exact Mass306.05
IUPAC Name5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccsc1)c1ccncc12
InChIInChI=1S/C17H10N2O2S/c20-17(21)10-1-2-12-14-8-18-5-3-13(14)16(19-15(12)7-10)11-4-6-22-9-11/h1-9H,(H,20,21)
InChIKeyAFSNNEJIKHHNDD-UHFFFAOYSA-N
XLogP4.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.21
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-(Thiophen-2-yl)quinoline-4-carboxylic acid
CID 620452
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
2-(5-Methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 673714
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quinoxalin-2-yl)-thiophen-3-yl]-benzoic acid
CID 10524574
4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quinoxalin-2-yl)-thiophen-2-yl]-benzoic acid
CID 10572606
5-(5-Chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252840
6-Fluoro-2-thiophen-2-yl-quinoline-4-carboxylic acid
CID 860395
8-Methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 3768281
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-(3-Methylthiophen-2-yl)benzo[f]quinoline-1-carboxylic acid
CID 878679

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid (CID 25252996) is 5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccsc1)c1ccncc12.
What is the InChIKey of 5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is AFSNNEJIKHHNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2S/c20-17(21)10-1-2-12-14-8-18-5-3-13(14)16(19-15(12)7-10)11-4-6-22-9-11/h1-9H,(H,20,21).
What are the key properties of 5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 306.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 25252996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).