N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide

C18H18N2OS — CID 4247339

IUPACN,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H18N2OS/c1-3-20(4-2)18(21)14-12-16(17-10-7-11-22-17)19-15-9-6-5-8-13(14)15/h5-12H,3-4H2,1-2H3
InChIKeyDBWOJKSBUJWNAK-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.45
Rot. Bonds4

About N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide

N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 4247339) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID4247339
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H18N2OS/c1-3-20(4-2)18(21)14-12-16(17-10-7-11-22-17)19-15-9-6-5-8-13(14)15/h5-12H,3-4H2,1-2H3
InChIKeyDBWOJKSBUJWNAK-UHFFFAOYSA-N
XLogP4.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
ethyl 2-(diethylamino)-3-oxo-3-(2-thiophen-2-ylquinolin-4-yl)propanoate
CID 594222
4-(dimethylamino)-1-(2-thiophen-2-ylquinolin-4-yl)butan-1-one
CID 158550391
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 8733849
N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4164269
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 43959797
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
N-[2-(diethylamino)ethyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 43959906
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide;hydrochloride
CID 44927226
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 4247339) is N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide is CCN(CC)C(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is DBWOJKSBUJWNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-3-20(4-2)18(21)14-12-16(17-10-7-11-22-17)19-15-9-6-5-8-13(14)15/h5-12H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide?
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4247339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).