N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide

C20H21N3O2S — CID 1358402

IUPACN-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H21N3O2S/c24-20(21-7-8-23-9-11-25-12-10-23)16-14-18(19-6-3-13-26-19)22-17-5-2-1-4-15(16)17/h1-6,13-14H,7-12H2,(H,21,24)
InChIKeyZPILGSPMKDTNAF-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.03
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 1358402) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID1358402
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H21N3O2S/c24-20(21-7-8-23-9-11-25-12-10-23)16-14-18(19-6-3-13-26-19)22-17-5-2-1-4-15(16)17/h1-6,13-14H,7-12H2,(H,21,24)
InChIKeyZPILGSPMKDTNAF-UHFFFAOYSA-N
XLogP3.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 1358402) is N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is ZPILGSPMKDTNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-20(21-7-8-23-9-11-25-12-10-23)16-14-18(19-6-3-13-26-19)22-17-5-2-1-4-15(16)17/h1-6,13-14H,7-12H2,(H,21,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1358402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).