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

C33H28N6O3S4 — CID 159638499

IUPAC3-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
SMILESNC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3.O=c1[nH]c(=O)c2sc3nc4c(c(-c5cccs5)c3c2[nH]1)CCCC4
InChIInChI=1S/C17H13N3O2S2.C16H15N3OS2/c21-15-14-13(19-17(22)20-15)12-11(10-6-3-7-23-10)8-4-1-2-5-9(8)18-16(12)24-14;17-13-12-11(10-6-3-7-21-10)8-4-1-2-5-9(8)19-16(12)22-14(13)15(18)20/h3,6-7H,1-2,4-5H2,(H2,19,20,21,22);3,6-7H,1-2,4-5,17H2,(H2,18,20)
InChIKeyMQATXEADIWCJNA-UHFFFAOYSA-N
MW684.89 g/mol
LogP7.02
Rot. Bonds3

About 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

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 (PubChem CID 159638499) has the molecular formula C33H28N6O3S4 and a molecular weight of 684.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159638499
Molecular FormulaC33H28N6O3S4
Molecular Weight684.89 g/mol
Exact Mass684.11
IUPAC Name3-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
SMILESNC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3.O=c1[nH]c(=O)c2sc3nc4c(c(-c5cccs5)c3c2[nH]1)CCCC4
InChIInChI=1S/C17H13N3O2S2.C16H15N3OS2/c21-15-14-13(19-17(22)20-15)12-11(10-6-3-7-23-10)8-4-1-2-5-9(8)18-16(12)24-14;17-13-12-11(10-6-3-7-21-10)8-4-1-2-5-9(8)19-16(12)22-14(13)15(18)20/h3,6-7H,1-2,4-5H2,(H2,19,20,21,22);3,6-7H,1-2,4-5,17H2,(H2,18,20)
InChIKeyMQATXEADIWCJNA-UHFFFAOYSA-N
XLogP7.02
TPSA160.61 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.89
LogP ≤ 57.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
6-amino-8-pyridin-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
CID 178081759
3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 59854867
3-amino-N-(3,5-dichlorophenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4182690
3-amino-N-(2-methylphenyl)-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3373769
3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 59854939
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1315700
6-amino-8-[4-(dimethylamino)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
CID 178081700
13-methyl-11-thiophen-2-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione
CID 143172141
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
6-amino-11-(pyridin-3-ylmethyl)-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 25205789
6-amino-11-[(3,5-dichlorophenyl)carbamothioyl]-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 59854909

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3.O=c1[nH]c(=O)c2sc3nc4c(c(-c5cccs5)c3c2[nH]1)CCCC4.
What is the InChIKey of 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?
The InChIKey is MQATXEADIWCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2.C16H15N3OS2/c21-15-14-13(19-17(22)20-15)12-11(10-6-3-7-23-10)8-4-1-2-5-9(8)18-16(12)24-14;17-13-12-11(10-6-3-7-21-10)8-4-1-2-5-9(8)19-16(12)22-14(13)15(18)20/h3,6-7H,1-2,4-5H2,(H2,19,20,21,22);3,6-7H,1-2,4-5,17H2,(H2,18,20).
What are the key properties of 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?
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 has a molecular weight of 684.89 g/mol, XLogP of 7.02, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159638499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).