2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C14H13N3S — CID 750693

IUPAC2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cccs1)CCCC2
InChIInChI=1S/C14H13N3S/c15-8-10-13(12-6-3-7-18-12)9-4-1-2-5-11(9)17-14(10)16/h3,6-7H,1-2,4-5H2,(H2,16,17)
InChIKeyFTKATHYCSFVXJI-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.14
Rot. Bonds1

About 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 750693) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID750693
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cccs1)CCCC2
InChIInChI=1S/C14H13N3S/c15-8-10-13(12-6-3-7-18-12)9-4-1-2-5-11(9)17-14(10)16/h3,6-7H,1-2,4-5H2,(H2,16,17)
InChIKeyFTKATHYCSFVXJI-UHFFFAOYSA-N
XLogP3.14
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 750693) is 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1cccs1)CCCC2.
What is the InChIKey of 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is FTKATHYCSFVXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-8-10-13(12-6-3-7-18-12)9-4-1-2-5-11(9)17-14(10)16/h3,6-7H,1-2,4-5H2,(H2,16,17).
What are the key properties of 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 255.35 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 750693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).