N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide

C20H23N3OS — CID 155511608

IUPACN-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C20H23N3OS/c1-3-23(4-2)11-10-21-20(24)17-13-19(15-9-12-25-14-15)22-18-8-6-5-7-16(17)18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,21,24)
InChIKeyBGEDCPJGCKIXJT-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.03
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide

N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide (PubChem CID 155511608) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide
PubChem CID155511608
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C20H23N3OS/c1-3-23(4-2)11-10-21-20(24)17-13-19(15-9-12-25-14-15)22-18-8-6-5-7-16(17)18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,21,24)
InChIKeyBGEDCPJGCKIXJT-UHFFFAOYSA-N
XLogP4.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide (CID 155511608) is N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2ccsc2)nc2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide?
The InChIKey is BGEDCPJGCKIXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-3-23(4-2)11-10-21-20(24)17-13-19(15-9-12-25-14-15)22-18-8-6-5-7-16(17)18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide?
N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-thiophen-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 155511608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).