N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C24H22N2O3S — CID 15987885

IUPACN-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C24H22N2O3S/c1-3-28-16-11-12-22(29-4-2)20(14-16)26-24(27)18-15-21(23-10-7-13-30-23)25-19-9-6-5-8-17(18)19/h5-15H,3-4H2,1-2H3,(H,26,27)
InChIKeyGCISGDSUWPUYAK-UHFFFAOYSA-N
MW418.52 g/mol
LogP6.01
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 15987885) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID15987885
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C24H22N2O3S/c1-3-28-16-11-12-22(29-4-2)20(14-16)26-24(27)18-15-21(23-10-7-13-30-23)25-19-9-6-5-8-17(18)19/h5-15H,3-4H2,1-2H3,(H,26,27)
InChIKeyGCISGDSUWPUYAK-UHFFFAOYSA-N
XLogP6.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-2-({3-[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-thiophen-2-ylmethyl}-carbamoyl)-vinyl]-N-methyl-benzamide
CID 10769485
2,3-Dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid (2,5-dimethoxy-phenyl)-amide
CID 775729
2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 1023195
N''-[2,5-dimethoxy-4-(2-thenoylamino)phenyl]-N-(6-quinolyl)succinamide
CID 1139085
2-(3-Benzyl-quinolin-2-ylsulfanyl)-N-(2,5-dimethoxy-phenyl)-acetamide
CID 1440307
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide
CID 3971149
N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323080
N-(2,5-dimethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 6490668
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide;hydrochloride
CID 16192670
N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 24819413
N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 898094
2-(5-ethyl-2-thienyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1261721

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 15987885) is N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is GCISGDSUWPUYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-3-28-16-11-12-22(29-4-2)20(14-16)26-24(27)18-15-21(23-10-7-13-30-23)25-19-9-6-5-8-17(18)19/h5-15H,3-4H2,1-2H3,(H,26,27).
What are the key properties of N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 15987885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).