4-anilinothieno[3,2-c]quinoline-7-carboxylic acid

C18H12N2O2S — CID 50941860

IUPAC4-anilinothieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccsc12
InChIInChI=1S/C18H12N2O2S/c21-18(22)11-6-7-13-15(10-11)20-17(14-8-9-23-16(13)14)19-12-4-2-1-3-5-12/h1-10H,(H,19,20)(H,21,22)
InChIKeyZJWIJPRRJBELMF-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.89
Rot. Bonds3

About 4-anilinothieno[3,2-c]quinoline-7-carboxylic acid

4-anilinothieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 50941860) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-anilinothieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-anilinothieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID50941860
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name4-anilinothieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccsc12
InChIInChI=1S/C18H12N2O2S/c21-18(22)11-6-7-13-15(10-11)20-17(14-8-9-23-16(13)14)19-12-4-2-1-3-5-12/h1-10H,(H,19,20)(H,21,22)
InChIKeyZJWIJPRRJBELMF-UHFFFAOYSA-N
XLogP4.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941855
4-(3-Chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941959
6-Anilinophenanthridine-3-carboxylic acid
CID 50942726
4-(2-Chlorophenylamino)thieno[3,2-c]quinoline-6-carboxylic acid
CID 58189540
US9464076, Example 2
CID 118658005
4,7-diacetyl-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-1-benzothiophene-2-carboxamide
CID 118658396
7-(cyclobutanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
CID 118658074
N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-7-(2-methylpropanoyl)-1-benzothiophene-2-carboxamide
CID 118658119
7-(2,2-dimethylpropanoyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
CID 118658151
2-(7-Acetyl-4-(methoxymethyl)-3-methylbenzo[b]thiophene-2-carboxamido)quinoline-5-carboxylic acid
CID 118658374
7-(cyclopropanecarbonyl)-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
CID 118658512
3-[(6-Phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 693084

Frequently Asked Questions

What is the IUPAC name of 4-anilinothieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-anilinothieno[3,2-c]quinoline-7-carboxylic acid (CID 50941860) is 4-anilinothieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-anilinothieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-anilinothieno[3,2-c]quinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccsc12.
What is the InChIKey of 4-anilinothieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is ZJWIJPRRJBELMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-18(22)11-6-7-13-15(10-11)20-17(14-8-9-23-16(13)14)19-12-4-2-1-3-5-12/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 4-anilinothieno[3,2-c]quinoline-7-carboxylic acid?
4-anilinothieno[3,2-c]quinoline-7-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinothieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 50941860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).