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

C20H16N2O2S — CID 50941863

IUPAC4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccsc12
InChIInChI=1S/C20H16N2O2S/c23-20(24)14-6-7-15-17(12-14)22-19(16-9-11-25-18(15)16)21-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,21,22)(H,23,24)
InChIKeyGZHWGZWSTFXTEV-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.80
Rot. Bonds5

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

4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 50941863) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID50941863
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccsc12
InChIInChI=1S/C20H16N2O2S/c23-20(24)14-6-7-15-17(12-14)22-19(16-9-11-25-18(15)16)21-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,21,22)(H,23,24)
InChIKeyGZHWGZWSTFXTEV-UHFFFAOYSA-N
XLogP4.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.80
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
4-(2-Chlorophenylamino)thieno[3,2-c]quinoline-6-carboxylic acid
CID 58189540
4,7-diacetyl-N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-1-benzothiophene-2-carboxamide
CID 118658396
N-[4-(2-hydroxypropan-2-yl)quinolin-2-yl]-3-methyl-7-(2-methylpropanoyl)-1-benzothiophene-2-carboxamide
CID 118658119
2-(7-Acetyl-4-(methoxymethyl)-3-methylbenzo[b]thiophene-2-carboxamido)quinoline-5-carboxylic acid
CID 118658374
3-[(6-Phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 693084
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
4-[3-(Methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid
CID 53317962
4-(2-Methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53320599
4-(3-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323250

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid (CID 50941863) is 4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccsc12.
What is the InChIKey of 4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is GZHWGZWSTFXTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-20(24)14-6-7-15-17(12-14)22-19(16-9-11-25-18(15)16)21-10-8-13-4-2-1-3-5-13/h1-7,9,11-12H,8,10H2,(H,21,22)(H,23,24).
What are the key properties of 4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid?
4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid has a molecular weight of 348.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 50941863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).