3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine

C20H16N2S — CID 164677723

IUPAC3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
SMILESc1ccc(-c2cc3ccccc3nc2NCc2cccs2)cc1
InChIInChI=1S/C20H16N2S/c1-2-7-15(8-3-1)18-13-16-9-4-5-11-19(16)22-20(18)21-14-17-10-6-12-23-17/h1-13H,14H2,(H,21,22)
InChIKeyJKLKABYOCUNUMV-UHFFFAOYSA-N
MW316.43 g/mol
LogP5.58
Rot. Bonds4

About 3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine

3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine (PubChem CID 164677723) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
PubChem CID164677723
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
SMILESc1ccc(-c2cc3ccccc3nc2NCc2cccs2)cc1
InChIInChI=1S/C20H16N2S/c1-2-7-15(8-3-1)18-13-16-9-4-5-11-19(16)22-20(18)21-14-17-10-6-12-23-17/h1-13H,14H2,(H,21,22)
InChIKeyJKLKABYOCUNUMV-UHFFFAOYSA-N
XLogP5.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine?
The IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine (CID 164677723) is 3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine.
What is the SMILES notation for 3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine?
The canonical SMILES for 3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine is c1ccc(-c2cc3ccccc3nc2NCc2cccs2)cc1.
What is the InChIKey of 3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine?
The InChIKey is JKLKABYOCUNUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-2-7-15(8-3-1)18-13-16-9-4-5-11-19(16)22-20(18)21-14-17-10-6-12-23-17/h1-13H,14H2,(H,21,22).
What are the key properties of 3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine?
3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine has a molecular weight of 316.43 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(thiophen-2-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 164677723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).