3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile

C13H9N3S — CID 649697

IUPAC3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile
SMILESCc1cccc2cc3c(N)c(C#N)sc3nc12
InChIInChI=1S/C13H9N3S/c1-7-3-2-4-8-5-9-11(15)10(6-14)17-13(9)16-12(7)8/h2-5H,15H2,1H3
InChIKeyMUWMCMNRTNFPQD-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.21
Rot. Bonds

About 3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile

3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 649697) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile
PubChem CID649697
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile
SMILESCc1cccc2cc3c(N)c(C#N)sc3nc12
InChIInChI=1S/C13H9N3S/c1-7-3-2-4-8-5-9-11(15)10(6-14)17-13(9)16-12(7)8/h2-5H,15H2,1H3
InChIKeyMUWMCMNRTNFPQD-UHFFFAOYSA-N
XLogP3.21
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AE-641/00355019
CID 826449
3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
CID 713661
3-Amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile
CID 702313
3-Amino-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 690882
5,6,8,9,10,11-Hexahydrobenzo[h][1]benzothieno[2,3-b]quinolin-7-amine
CID 828292
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
3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile
CID 663574
3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 712450
3-Amino-6-cyclopropyl-4-phenylthieno[2,3-b]pyridine-2-carbonitrile
CID 747807
3-Amino-4-phenyl-6-(2-thienyl)thieno[2,3-b]pyridine-2-carbonitrile
CID 845544
2-(Cyanomethylthio)-8-methylquinoline-3-carbonitrile
CID 3141909

Frequently Asked Questions

What is the IUPAC name of 3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile (CID 649697) is 3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile is Cc1cccc2cc3c(N)c(C#N)sc3nc12.
What is the InChIKey of 3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is MUWMCMNRTNFPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c1-7-3-2-4-8-5-9-11(15)10(6-14)17-13(9)16-12(7)8/h2-5H,15H2,1H3.
What are the key properties of 3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile?
3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 239.30 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-methylthieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 649697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).