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

C16H17N3S — CID 794070

IUPAC2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)s1
InChIInChI=1S/C16H17N3S/c1-2-10-7-8-14(20-10)15-11-5-3-4-6-13(11)19-16(18)12(15)9-17/h7-8H,2-6H2,1H3,(H2,18,19)
InChIKeyACSDVSFFDGGFJO-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.71
Rot. Bonds2

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

2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 794070) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID794070
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)s1
InChIInChI=1S/C16H17N3S/c1-2-10-7-8-14(20-10)15-11-5-3-4-6-13(11)19-16(18)12(15)9-17/h7-8H,2-6H2,1H3,(H2,18,19)
InChIKeyACSDVSFFDGGFJO-UHFFFAOYSA-N
XLogP3.71
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
2-amino-4-thiophen-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 678703
2-amino-4-(5-methylfuran-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
4-chloro-2-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinazoline
CID 55186179
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-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5153636
2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159
4-(5-chlorothiophen-2-yl)-2-(diethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 122526085
4-chloro-2-(5-ethylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62320899
2-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
2-amino-4-(2,5-dimethylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635452
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 794070) is 2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CCc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)s1.
What is the InChIKey of 2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is ACSDVSFFDGGFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-10-7-8-14(20-10)15-11-5-3-4-6-13(11)19-16(18)12(15)9-17/h7-8H,2-6H2,1H3,(H2,18,19).
What are the key properties of 2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 283.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-ethylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 794070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).