3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C23H21N3OS2 — CID 3373769

IUPAC3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3
InChIInChI=1S/C23H21N3OS2/c1-13-7-2-4-9-15(13)25-22(27)21-20(24)19-18(17-11-6-12-28-17)14-8-3-5-10-16(14)26-23(19)29-21/h2,4,6-7,9,11-12H,3,5,8,10,24H2,1H3,(H,25,27)
InChIKeyFHLVNEFLLCLTPI-UHFFFAOYSA-N
MW419.58 g/mol
LogP6.05
Rot. Bonds3

About 3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3373769) has the molecular formula C23H21N3OS2 and a molecular weight of 419.58 g/mol. Its IUPAC name is 3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID3373769
Molecular FormulaC23H21N3OS2
Molecular Weight419.58 g/mol
Exact Mass419.11
IUPAC Name3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3
InChIInChI=1S/C23H21N3OS2/c1-13-7-2-4-9-15(13)25-22(27)21-20(24)19-18(17-11-6-12-28-17)14-8-3-5-10-16(14)26-23(19)29-21/h2,4,6-7,9,11-12H,3,5,8,10,24H2,1H3,(H,25,27)
InChIKeyFHLVNEFLLCLTPI-UHFFFAOYSA-N
XLogP6.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.58
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3,5-dichlorophenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4182690
6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylic acid
CID 178081756
3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1042903
6-amino-N-(2-ethylphenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1314962
3-amino-N-(4-chlorophenyl)-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 5209201
3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;9-thiophen-2-yl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16)-tetraene-13,15-dione
CID 159638499
3-amino-N-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 1387507
1-amino-N-(4-methoxyphenyl)-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 23475195
1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone
CID 11988170
3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 59854867
3-amino-N-(2,3-dimethylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1022441
6-amino-N-phenyl-8-(4-propan-2-ylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 4600062

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 3373769) is 3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3.
What is the InChIKey of 3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is FHLVNEFLLCLTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS2/c1-13-7-2-4-9-15(13)25-22(27)21-20(24)19-18(17-11-6-12-28-17)14-8-3-5-10-16(14)26-23(19)29-21/h2,4,6-7,9,11-12H,3,5,8,10,24H2,1H3,(H,25,27).
What are the key properties of 3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 419.58 g/mol, XLogP of 6.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3373769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).