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

C20H23N3OS — CID 2052939

IUPACN-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H23N3OS/c1-3-23(4-2)12-11-21-20(24)16-14-18(19-10-7-13-25-19)22-17-9-6-5-8-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,24)
InChIKeyHQLLPYXBPXDTCN-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.03
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2052939) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2052939
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H23N3OS/c1-3-23(4-2)12-11-21-20(24)16-14-18(19-10-7-13-25-19)22-17-9-6-5-8-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,24)
InChIKeyHQLLPYXBPXDTCN-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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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
Cambridge id 7007502
CID 753478
(S)-3-(methylsulfonylmethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16064397
3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065257
(S)-3-(methylsulfonyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16065390
3-(ethylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065391
3-(2-(methylsulfinyl)ethyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53325403
2-(Thiophen-2-yl)quinoline-4-carbohydrazide
CID 5102481
4-Quinolinecarboxamide,n-cyclopentyl-2-methyl-
CID 757639

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 2052939) is N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is HQLLPYXBPXDTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-3-23(4-2)12-11-21-20(24)16-14-18(19-10-7-13-25-19)22-17-9-6-5-8-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[2-(diethylamino)ethyl]-2-thiophen-2-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-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2052939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).