4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide

C25H26N4O2S — CID 71835237

IUPAC4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N2C(N)=C(C#N)C(c3cccs3)C3=C2CCCC3=O)cc1
InChIInChI=1S/C25H26N4O2S/c1-3-28(4-2)25(31)16-10-12-17(13-11-16)29-19-7-5-8-20(30)23(19)22(18(15-26)24(29)27)21-9-6-14-32-21/h6,9-14,22H,3-5,7-8,27H2,1-2H3
InChIKeyWRJJNBWGBRWYQA-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.53
Rot. Bonds5

About 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide

4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide (PubChem CID 71835237) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide
PubChem CID71835237
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N2C(N)=C(C#N)C(c3cccs3)C3=C2CCCC3=O)cc1
InChIInChI=1S/C25H26N4O2S/c1-3-28(4-2)25(31)16-10-12-17(13-11-16)29-19-7-5-8-20(30)23(19)22(18(15-26)24(29)27)21-9-6-14-32-21/h6,9-14,22H,3-5,7-8,27H2,1-2H3
InChIKeyWRJJNBWGBRWYQA-UHFFFAOYSA-N
XLogP4.53
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide with MolForge

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Related Compounds

2-amino-5-oxo-4-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126478188
2-amino-1-(4-chlorophenyl)-4-(3-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4592998
2-amino-1-(4-bromophenyl)-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4135432
2-amino-4-(5-methylthiophen-2-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5106351
2-amino-1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4229896
(4S)-2-amino-4-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1041191
(4R)-2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 40829818
2-amino-1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4125231
(4S)-2-amino-1-(4-methoxyphenyl)-5-oxo-4-[4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 42588866
(4R)-2-amino-4-(3-ethylsulfanylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 92848947
(4S)-2-amino-4-(3-ethylsulfanylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 92848948
2-amino-1-(3-methylphenyl)-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5173788

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide?
The IUPAC name of 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide (CID 71835237) is 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide?
The canonical SMILES for 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N2C(N)=C(C#N)C(c3cccs3)C3=C2CCCC3=O)cc1.
What is the InChIKey of 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide?
The InChIKey is WRJJNBWGBRWYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-3-28(4-2)25(31)16-10-12-17(13-11-16)29-19-7-5-8-20(30)23(19)22(18(15-26)24(29)27)21-9-6-14-32-21/h6,9-14,22H,3-5,7-8,27H2,1-2H3.
What are the key properties of 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide?
4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide has a molecular weight of 446.58 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyano-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydroquinolin-1-yl)-N,N-diethylbenzamide is sourced from PubChem (CID 71835237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).