2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

C19H19ClN4OS — CID 1222490

IUPAC2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCN1CCN(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1
InChIInChI=1S/C19H19ClN4OS/c1-23-8-10-24(11-9-23)22-19(25)14-12-16(17-6-7-18(20)26-17)21-15-5-3-2-4-13(14)15/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKeyWCFJJPZMQIIEKB-UHFFFAOYSA-N
MW386.91 g/mol
LogP3.51
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 1222490) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID1222490
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCN1CCN(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1
InChIInChI=1S/C19H19ClN4OS/c1-23-8-10-24(11-9-23)22-19(25)14-12-16(17-6-7-18(20)26-17)21-15-5-3-2-4-13(14)15/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKeyWCFJJPZMQIIEKB-UHFFFAOYSA-N
XLogP3.51
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
2-(Thiophen-2-yl)quinoline-4-carbohydrazide
CID 5102481
2-(5-methyl-2-thienyl)-N'-[1-(3-pyridinyl)ethylidene]-4-quinolinecarbohydrazide
CID 5454993
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]quinoline-4-carboxamide
CID 9654405
4-chloro-N-(2-cyanoethyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
CID 24761404
N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2351889
N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide
CID 155511608
2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 155536571
2-(5-Chloro-2-thienyl)-4-[(4-ethyl-1-piperazinyl)carbonyl]quinoline
CID 1223084
N-(4-morpholinyl)-2-(2-thienyl)-4-quinolinecarboxamide
CID 773761
[2-(5-Methyl-2-thiophenyl)-4-quinolinyl]-(1-pyrrolidinyl)methanone
CID 898403
2-(5-chlorothiophen-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-4-carboxamide
CID 1009400

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 1222490) is 2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is CN1CCN(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is WCFJJPZMQIIEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-23-8-10-24(11-9-23)22-19(25)14-12-16(17-6-7-18(20)26-17)21-15-5-3-2-4-13(14)15/h2-7,12H,8-11H2,1H3,(H,22,25).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1222490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).