2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide

C20H22ClN3OS — CID 55843027

IUPAC2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccc2nc(Cl)ccc2c1)c1ccsc1
InChIInChI=1S/C20H22ClN3OS/c1-3-24(4-2)18(16-9-10-26-13-16)12-22-20(25)15-5-7-17-14(11-15)6-8-19(21)23-17/h5-11,13,18H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyDNQFQJQTATXSPK-UHFFFAOYSA-N
MW387.94 g/mol
LogP4.76
Rot. Bonds7

About 2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide

2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide (PubChem CID 55843027) has the molecular formula C20H22ClN3OS and a molecular weight of 387.94 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide
PubChem CID55843027
Molecular FormulaC20H22ClN3OS
Molecular Weight387.94 g/mol
Exact Mass387.12
IUPAC Name2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccc2nc(Cl)ccc2c1)c1ccsc1
InChIInChI=1S/C20H22ClN3OS/c1-3-24(4-2)18(16-9-10-26-13-16)12-22-20(25)15-5-7-17-14(11-15)6-8-19(21)23-17/h5-11,13,18H,3-4,12H2,1-2H3,(H,22,25)
InChIKeyDNQFQJQTATXSPK-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39208165
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55660126
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
CID 55660317
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39212835
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
CID 103686077
2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119849775
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55660315
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
CID 47056166
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide
CID 55660430

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide (CID 55843027) is 2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide is CCN(CC)C(CNC(=O)c1ccc2nc(Cl)ccc2c1)c1ccsc1.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide?
The InChIKey is DNQFQJQTATXSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3OS/c1-3-24(4-2)18(16-9-10-26-13-16)12-22-20(25)15-5-7-17-14(11-15)6-8-19(21)23-17/h5-11,13,18H,3-4,12H2,1-2H3,(H,22,25).
What are the key properties of 2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide?
2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide has a molecular weight of 387.94 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide is sourced from PubChem (CID 55843027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).