2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline

C19H21N3S — CID 24733376

IUPAC2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline
SMILESCCN1CCN(c2ccc3cccc(-c4cccs4)c3n2)CC1
InChIInChI=1S/C19H21N3S/c1-2-21-10-12-22(13-11-21)18-9-8-15-5-3-6-16(19(15)20-18)17-7-4-14-23-17/h3-9,14H,2,10-13H2,1H3
InChIKeyPWTSEOHYKRYQPN-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline

2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline (PubChem CID 24733376) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline
PubChem CID24733376
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline
SMILESCCN1CCN(c2ccc3cccc(-c4cccs4)c3n2)CC1
InChIInChI=1S/C19H21N3S/c1-2-21-10-12-22(13-11-21)18-9-8-15-5-3-6-16(19(15)20-18)17-7-4-14-23-17/h3-9,14H,2,10-13H2,1H3
InChIKeyPWTSEOHYKRYQPN-UHFFFAOYSA-N
XLogP4.11
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline (CID 24733376) is 2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline is CCN1CCN(c2ccc3cccc(-c4cccs4)c3n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline?
The InChIKey is PWTSEOHYKRYQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-2-21-10-12-22(13-11-21)18-9-8-15-5-3-6-16(19(15)20-18)17-7-4-14-23-17/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline?
2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline has a molecular weight of 323.47 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-8-thiophen-2-ylquinoline is sourced from PubChem (CID 24733376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).