2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C18H15N3S — CID 135121504

IUPAC2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1csc3ccccc13)CCCC2
InChIInChI=1S/C18H15N3S/c19-9-13-17(12-6-1-3-7-15(12)21-18(13)20)14-10-22-16-8-4-2-5-11(14)16/h2,4-5,8,10H,1,3,6-7H2,(H2,20,21)
InChIKeyCNENGZGINIQSBI-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.30
Rot. Bonds1

About 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 135121504) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID135121504
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1csc3ccccc13)CCCC2
InChIInChI=1S/C18H15N3S/c19-9-13-17(12-6-1-3-7-15(12)21-18(13)20)14-10-22-16-8-4-2-5-11(14)16/h2,4-5,8,10H,1,3,6-7H2,(H2,20,21)
InChIKeyCNENGZGINIQSBI-UHFFFAOYSA-N
XLogP4.30
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-thiophen-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 678703
2-(1-benzothiophen-3-yl)-4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405510
2-(1-benzothiophen-3-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62698471
2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5153636
2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635452
2-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
2-amino-4-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635818
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342
2-amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4528748
2-amino-4-(4-bromo-5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 1078801
2-amino-4-(3,5-dibromo-2-hydroxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 137127502
2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 135121504) is 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1csc3ccccc13)CCCC2.
What is the InChIKey of 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is CNENGZGINIQSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c19-9-13-17(12-6-1-3-7-15(12)21-18(13)20)14-10-22-16-8-4-2-5-11(14)16/h2,4-5,8,10H,1,3,6-7H2,(H2,20,21).
What are the key properties of 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 305.41 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-benzothiophen-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 135121504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).