8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid

C19H12N2O3S — CID 131974287

IUPAC8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(NC(=O)c3cc4ccccc4s3)c2n1
InChIInChI=1S/C19H12N2O3S/c22-18(16-10-12-4-1-2-7-15(12)25-16)21-13-6-3-5-11-8-9-14(19(23)24)20-17(11)13/h1-10H,(H,21,22)(H,23,24)
InChIKeyZNLFBUAMEVMEHP-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.40
Rot. Bonds3

About 8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid

8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid (PubChem CID 131974287) has the molecular formula C19H12N2O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is 8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid
PubChem CID131974287
Molecular FormulaC19H12N2O3S
Molecular Weight348.38 g/mol
Exact Mass348.06
IUPAC Name8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(NC(=O)c3cc4ccccc4s3)c2n1
InChIInChI=1S/C19H12N2O3S/c22-18(16-10-12-4-1-2-7-15(12)25-16)21-13-6-3-5-11-8-9-14(19(23)24)20-17(11)13/h1-10H,(H,21,22)(H,23,24)
InChIKeyZNLFBUAMEVMEHP-UHFFFAOYSA-N
XLogP4.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid
CID 118902335
N-(2-naphthalen-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 142723952
N-[2-(chloromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 114298249
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55911688
N-(4-fluoro-2-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 142723853
5-(1-benzothiophene-2-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 43356641
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 79513540
benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
CID 161453399
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid?
The IUPAC name of 8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid (CID 131974287) is 8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid is O=C(O)c1ccc2cccc(NC(=O)c3cc4ccccc4s3)c2n1.
What is the InChIKey of 8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid?
The InChIKey is ZNLFBUAMEVMEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3S/c22-18(16-10-12-4-1-2-7-15(12)25-16)21-13-6-3-5-11-8-9-14(19(23)24)20-17(11)13/h1-10H,(H,21,22)(H,23,24).
What are the key properties of 8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid?
8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid has a molecular weight of 348.38 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzothiophene-2-carbonylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 131974287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).