4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid

C20H15N3O3S — CID 50942049

IUPAC4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid
SMILESCNC(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1
InChIInChI=1S/C20H15N3O3S/c1-21-19(24)11-3-2-4-13(9-11)22-18-15-7-8-27-17(15)14-6-5-12(20(25)26)10-16(14)23-18/h2-10H,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyDHCQDGXHMONIAG-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.25
Rot. Bonds4

About 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid

4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 50942049) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID50942049
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid
SMILESCNC(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1
InChIInChI=1S/C20H15N3O3S/c1-21-19(24)11-3-2-4-13(9-11)22-18-15-7-8-27-17(15)14-6-5-12(20(25)26)10-16(14)23-18/h2-10H,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyDHCQDGXHMONIAG-UHFFFAOYSA-N
XLogP4.25
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
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-[[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 1189381
4-Anilinothieno[3,2-c]pyridine-6-carboxylic acid
CID 53317960

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid (CID 50942049) is 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid is CNC(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1.
What is the InChIKey of 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is DHCQDGXHMONIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-21-19(24)11-3-2-4-13(9-11)22-18-15-7-8-27-17(15)14-6-5-12(20(25)26)10-16(14)23-18/h2-10H,1H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid?
4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid has a molecular weight of 377.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylcarbamoyl)anilino]thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 50942049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).