N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide

C15H12N2OS — CID 53014106

IUPACN-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide
SMILESO=C(NCc1cccs1)c1cccc2cnccc12
InChIInChI=1S/C15H12N2OS/c18-15(17-10-12-4-2-8-19-12)14-5-1-3-11-9-16-7-6-13(11)14/h1-9H,10H2,(H,17,18)
InChIKeyDKKREPFTKKJSJE-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.23
Rot. Bonds3

About N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide

N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide (PubChem CID 53014106) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide
PubChem CID53014106
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide
SMILESO=C(NCc1cccs1)c1cccc2cnccc12
InChIInChI=1S/C15H12N2OS/c18-15(17-10-12-4-2-8-19-12)14-5-1-3-11-9-16-7-6-13(11)14/h1-9H,10H2,(H,17,18)
InChIKeyDKKREPFTKKJSJE-UHFFFAOYSA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 573874
CID 573874
CID 42606339
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CID 1511238
CID 1511238
CID 4227699
CID 4227699
CID 673385
CID 673385
CID 53245730
CID 53245730
CID 25218751
CID 25218751
CID 54764920
CID 54764920
CID 2565676
CID 2565676
CID 9559901
CID 9559901
CID 22422668
CID 22422668
CID 2090061
CID 2090061

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide (CID 53014106) is N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide is O=C(NCc1cccs1)c1cccc2cnccc12.
What is the InChIKey of N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide?
The InChIKey is DKKREPFTKKJSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-15(17-10-12-4-2-8-19-12)14-5-1-3-11-9-16-7-6-13(11)14/h1-9H,10H2,(H,17,18).
What are the key properties of N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide?
N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)isoquinoline-5-carboxamide is sourced from PubChem (CID 53014106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).