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

C15H15N3S — CID 5153636

IUPAC2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccsc1-c1c(C#N)c(N)nc2c1CCCC2
InChIInChI=1S/C15H15N3S/c1-9-6-7-19-14(9)13-10-4-2-3-5-12(10)18-15(17)11(13)8-16/h6-7H,2-5H2,1H3,(H2,17,18)
InChIKeyLYQBXDSVEGYNIS-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.45
Rot. Bonds1

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

2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 5153636) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID5153636
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccsc1-c1c(C#N)c(N)nc2c1CCCC2
InChIInChI=1S/C15H15N3S/c1-9-6-7-19-14(9)13-10-4-2-3-5-12(10)18-15(17)11(13)8-16/h6-7H,2-5H2,1H3,(H2,17,18)
InChIKeyLYQBXDSVEGYNIS-UHFFFAOYSA-N
XLogP3.45
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 5153636) is 2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1ccsc1-c1c(C#N)c(N)nc2c1CCCC2.
What is the InChIKey of 2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is LYQBXDSVEGYNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9-6-7-19-14(9)13-10-4-2-3-5-12(10)18-15(17)11(13)8-16/h6-7H,2-5H2,1H3,(H2,17,18).
What are the key properties of 2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 269.37 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 5153636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).