[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C20H20ClN3OS — CID 1223084

IUPAC[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1
InChIInChI=1S/C20H20ClN3OS/c1-2-23-9-11-24(12-10-23)20(25)15-13-17(18-7-8-19(21)26-18)22-16-6-4-3-5-14(15)16/h3-8,13H,2,9-12H2,1H3
InChIKeyPQTBQNRRSGTZNJ-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.39
Rot. Bonds3

About [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 1223084) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID1223084
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC Name[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1
InChIInChI=1S/C20H20ClN3OS/c1-2-23-9-11-24(12-10-23)20(25)15-13-17(18-7-8-19(21)26-18)22-16-6-4-3-5-14(15)16/h3-8,13H,2,9-12H2,1H3
InChIKeyPQTBQNRRSGTZNJ-UHFFFAOYSA-N
XLogP4.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 1223084) is [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is PQTBQNRRSGTZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-2-23-9-11-24(12-10-23)20(25)15-13-17(18-7-8-19(21)26-18)22-16-6-4-3-5-14(15)16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 385.92 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 1223084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).