2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C16H13ClN2OS — CID 18208948

IUPAC2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H13ClN2OS/c1-19(10-11-5-4-8-21-11)16(20)13-9-15(17)18-14-7-3-2-6-12(13)14/h2-9H,10H2,1H3
InChIKeyUIZUTTPPCAITRZ-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.22
Rot. Bonds3

About 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 18208948) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID18208948
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCN(Cc1cccs1)C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H13ClN2OS/c1-19(10-11-5-4-8-21-11)16(20)13-9-15(17)18-14-7-3-2-6-12(13)14/h2-9H,10H2,1H3
InChIKeyUIZUTTPPCAITRZ-UHFFFAOYSA-N
XLogP4.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 43395968
2-chloro-N,N-dipropylquinoline-4-carboxamide
CID 11426314
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
CID 115649170
3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62169187
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 9392829
2-anilino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2533639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 18208948) is 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is CN(Cc1cccs1)C(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is UIZUTTPPCAITRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-19(10-11-5-4-8-21-11)16(20)13-9-15(17)18-14-7-3-2-6-12(13)14/h2-9H,10H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 18208948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).