N-(thiophen-2-ylmethyl)quinoline-2-carboxamide

C15H12N2OS — CID 2490964

IUPACN-(thiophen-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2ccccc2n1
InChIInChI=1S/C15H12N2OS/c18-15(16-10-12-5-3-9-19-12)14-8-7-11-4-1-2-6-13(11)17-14/h1-9H,10H2,(H,16,18)
InChIKeyJUNUJHASGBBLNL-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.23
Rot. Bonds3

About N-(thiophen-2-ylmethyl)quinoline-2-carboxamide

N-(thiophen-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 2490964) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)quinoline-2-carboxamide
PubChem CID2490964
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(thiophen-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2ccccc2n1
InChIInChI=1S/C15H12N2OS/c18-15(16-10-12-5-3-9-19-12)14-8-7-11-4-1-2-6-13(11)17-14/h1-9H,10H2,(H,16,18)
InChIKeyJUNUJHASGBBLNL-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

N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
N-benzylquinoline-2-carboxamide
CID 1547970
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
2-(Thiophen-2-yl)quinoline-4-carbohydrazide
CID 5102481
N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
CID 2525578
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]quinoline-4-carboxamide
CID 9654405
3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1011328
N-{3-[butyl(methyl)amino]propyl}-2-thien-2-ylquinoline-4-carboxamide
CID 22422668
N-[3-(dimethylamino)propyl]-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 2090061
N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2351889
Phenyl-[(2-thiophen-2-yl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 10179239
[(2-Phenyl-quinoline-4-carbonyl)-amino]-thiophen-2-yl-acetic acid methyl ester
CID 10716102

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)quinoline-2-carboxamide (CID 2490964) is N-(thiophen-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)quinoline-2-carboxamide is O=C(NCc1cccs1)c1ccc2ccccc2n1.
What is the InChIKey of N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is JUNUJHASGBBLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-15(16-10-12-5-3-9-19-12)14-8-7-11-4-1-2-6-13(11)17-14/h1-9H,10H2,(H,16,18).
What are the key properties of N-(thiophen-2-ylmethyl)quinoline-2-carboxamide?
N-(thiophen-2-ylmethyl)quinoline-2-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)quinoline-2-carboxamide is sourced from PubChem (CID 2490964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).