5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

C22H30N4OS — CID 20940527

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ccc(N3CCCc4ccccc43)s2)CC1
InChIInChI=1S/C22H30N4OS/c1-2-24-14-16-25(17-15-24)13-11-23-22(27)20-9-10-21(28-20)26-12-5-7-18-6-3-4-8-19(18)26/h3-4,6,8-10H,2,5,7,11-17H2,1H3,(H,23,27)
InChIKeyJPURUXANSQGAJT-UHFFFAOYSA-N
MW398.58 g/mol
LogP3.20
Rot. Bonds6

About 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 20940527) has the molecular formula C22H30N4OS and a molecular weight of 398.58 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID20940527
Molecular FormulaC22H30N4OS
Molecular Weight398.58 g/mol
Exact Mass398.21
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ccc(N3CCCc4ccccc43)s2)CC1
InChIInChI=1S/C22H30N4OS/c1-2-24-14-16-25(17-15-24)13-11-23-22(27)20-9-10-21(28-20)26-12-5-7-18-6-3-4-8-19(18)26/h3-4,6,8-10H,2,5,7,11-17H2,1H3,(H,23,27)
InChIKeyJPURUXANSQGAJT-UHFFFAOYSA-N
XLogP3.20
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (CID 20940527) is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is CCN1CCN(CCNC(=O)c2ccc(N3CCCc4ccccc43)s2)CC1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is JPURUXANSQGAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4OS/c1-2-24-14-16-25(17-15-24)13-11-23-22(27)20-9-10-21(28-20)26-12-5-7-18-6-3-4-8-19(18)26/h3-4,6,8-10H,2,5,7,11-17H2,1H3,(H,23,27).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 398.58 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 20940527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).