1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile

C70H69Cl2N13O7S — CID 157277047

IUPAC1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCN(C)CCn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)Cc3cccs3)CC2)c2ccccc21.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H25Cl2N5O2.C24H24N4O3.C21H20N4O2S/c1-29(2)9-14-32-22-6-4-3-5-18(22)23(19(16-28)25(32)34)30-10-12-31(13-11-30)24(33)17-7-8-20(26)21(27)15-17;25-16-19-22(26-11-13-27(14-12-26)24(30)21-10-5-15-31-21)18-8-3-4-9-20(18)28(23(19)29)17-6-1-2-7-17;1-23-18-7-3-2-6-16(18)20(17(14-22)21(23)27)25-10-8-24(9-11-25)19(26)13-15-5-4-12-28-15/h3-8,15H,9-14H2,1-2H3;3-5,8-10,15,17H,1-2,6-7,11-14H2;2-7,12H,8-11,13H2,1H3
InChIKeyAZFOCIWWRNYXSY-UHFFFAOYSA-N
MW1307.38 g/mol
LogP9.61
Rot. Bonds11

About 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile

1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 157277047) has the molecular formula C70H69Cl2N13O7S and a molecular weight of 1307.38 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID157277047
Molecular FormulaC70H69Cl2N13O7S
Molecular Weight1307.38 g/mol
Exact Mass1305.45
IUPAC Name1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCN(C)CCn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)Cc3cccs3)CC2)c2ccccc21.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H25Cl2N5O2.C24H24N4O3.C21H20N4O2S/c1-29(2)9-14-32-22-6-4-3-5-18(22)23(19(16-28)25(32)34)30-10-12-31(13-11-30)24(33)17-7-8-20(26)21(27)15-17;25-16-19-22(26-11-13-27(14-12-26)24(30)21-10-5-15-31-21)18-8-3-4-9-20(18)28(23(19)29)17-6-1-2-7-17;1-23-18-7-3-2-6-16(18)20(17(14-22)21(23)27)25-10-8-24(9-11-25)19(26)13-15-5-4-12-28-15/h3-8,15H,9-14H2,1-2H3;3-5,8-10,15,17H,1-2,6-7,11-14H2;2-7,12H,8-11,13H2,1H3
InChIKeyAZFOCIWWRNYXSY-UHFFFAOYSA-N
XLogP9.61
TPSA224.40 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001307.38
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile with MolForge

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Related Compounds

azane;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile;ethane
CID 157422035
1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile
CID 58799240
azane;1-benzyl-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 162306393
4-[4-(4-chlorobenzoyl)piperazin-1-yl]-6-iodo-1-methyl-2-oxoquinoline-3-carbonitrile;6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159389476
azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
CID 162334317
4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[3-(dimethylamino)propyl]-2-oxoquinoline-3-carbonitrile
CID 58799186
4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 58799173
6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile
CID 58799234
N-[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 58080685
4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(furan-3-ylmethyl)-2-oxoquinoline-3-carbonitrile
CID 58799187
1-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108543938
4-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;6-chloro-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile;4-[4-(4-fluorobenzoyl)piperazin-1-yl]-1,6-dimethyl-2-oxoquinoline-3-carbonitrile;4-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
CID 159228811

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 157277047) is 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile is CN(C)CCn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)Cc3cccs3)CC2)c2ccccc21.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n(C2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is AZFOCIWWRNYXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N5O2.C24H24N4O3.C21H20N4O2S/c1-29(2)9-14-32-22-6-4-3-5-18(22)23(19(16-28)25(32)34)30-10-12-31(13-11-30)24(33)17-7-8-20(26)21(27)15-17;25-16-19-22(26-11-13-27(14-12-26)24(30)21-10-5-15-31-21)18-8-3-4-9-20(18)28(23(19)29)17-6-1-2-7-17;1-23-18-7-3-2-6-16(18)20(17(14-22)21(23)27)25-10-8-24(9-11-25)19(26)13-15-5-4-12-28-15/h3-8,15H,9-14H2,1-2H3;3-5,8-10,15,17H,1-2,6-7,11-14H2;2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile?
1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 1307.38 g/mol, XLogP of 9.61, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[2-(dimethylamino)ethyl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 157277047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).