3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

C12H11N3S — CID 713661

IUPAC3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESN#Cc1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C12H11N3S/c13-6-10-11(14)8-5-7-3-1-2-4-9(7)15-12(8)16-10/h5H,1-4,14H2
InChIKeyZDJDVRCSNUJIQQ-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.63
Rot. Bonds

About 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 713661) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID713661
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESN#Cc1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C12H11N3S/c13-6-10-11(14)8-5-7-3-1-2-4-9(7)15-12(8)16-10/h5H,1-4,14H2
InChIKeyZDJDVRCSNUJIQQ-UHFFFAOYSA-N
XLogP2.63
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AE-641/00355019
CID 826449
3-Amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile
CID 702313
2,3,4,7,8,9,10,11-octahydro-1H-[1]benzothieno[2,3-b]cyclohepta[e]pyridin-12-amine
CID 744115
1,2,3,4,7,8,9,10-Octahydro[1]benzothieno[2,3-b]quinolin-11-amine
CID 751739
2,3,4,7,8,9,10,11-octahydro-1H-cyclohepta[4,5]thieno[2,3-b]quinolin-12-amine
CID 882871
3-Amino-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 690882
3-Amino-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 690864
5,6,8,9,10,11-Hexahydrobenzo[h][1]benzothieno[2,3-b]quinolin-7-amine
CID 828292
9-Methyl-1,2,3,4,7,8,9,10-octahydro[1]benzothieno[2,3-b]quinolin-11-amine
CID 2928334
2-(Octylsulfinyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
CID 4001738
3-Amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
CID 608878
2-(4-Nitrophenyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 671377

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 713661) is 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is N#Cc1sc2nc3c(cc2c1N)CCCC3.
What is the InChIKey of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is ZDJDVRCSNUJIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c13-6-10-11(14)8-5-7-3-1-2-4-9(7)15-12(8)16-10/h5H,1-4,14H2.
What are the key properties of 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 229.31 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 713661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).