2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide

C20H22ClN3OS — CID 155536571

IUPAC2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C20H22ClN3OS/c1-3-24(4-2)12-11-22-20(25)15-13-17(18-9-10-19(21)26-18)23-16-8-6-5-7-14(15)16/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,25)
InChIKeyRFWSAHXLNSVNAU-UHFFFAOYSA-N
MW387.94 g/mol
LogP4.69
Rot. Bonds7

About 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide (PubChem CID 155536571) has the molecular formula C20H22ClN3OS and a molecular weight of 387.94 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
PubChem CID155536571
Molecular FormulaC20H22ClN3OS
Molecular Weight387.94 g/mol
Exact Mass387.12
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C20H22ClN3OS/c1-3-24(4-2)12-11-22-20(25)15-13-17(18-9-10-19(21)26-18)23-16-8-6-5-7-14(15)16/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,25)
InChIKeyRFWSAHXLNSVNAU-UHFFFAOYSA-N
XLogP4.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide (CID 155536571) is 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is RFWSAHXLNSVNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3OS/c1-3-24(4-2)12-11-22-20(25)15-13-17(18-9-10-19(21)26-18)23-16-8-6-5-7-14(15)16/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 387.94 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 155536571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).