1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

C74H78FIN14O6S2 — CID 160695991

IUPAC1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCN(C)CCCOc1nc2ccccc2c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1C#N.CN(C)CCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2cc(I)ccc21.N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H28FN5O2.C24H26IN5O2S.C24H24N4O2S/c1-30(2)12-5-17-34-25-22(18-28)24(21-6-3-4-7-23(21)29-25)31-13-15-32(16-14-31)26(33)19-8-10-20(27)11-9-19;1-27(2)8-4-9-30-20-7-6-17(25)15-18(20)22(19(16-26)23(30)31)28-10-12-29(13-11-28)24(32)21-5-3-14-33-21;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/h3-4,6-11H,5,12-17H2,1-2H3;3,5-7,14-15H,4,8-13H2,1-2H3;3-5,8-10,15,17H,1-2,6-7,11-14H2
InChIKeyRPZTVGMSDIQZOH-UHFFFAOYSA-N
MW1469.57 g/mol
LogP11.00
Rot. Bonds16

About 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 160695991) has the molecular formula C74H78FIN14O6S2 and a molecular weight of 1469.57 g/mol. Its IUPAC name is 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID160695991
Molecular FormulaC74H78FIN14O6S2
Molecular Weight1469.57 g/mol
Exact Mass1468.47
IUPAC Name1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCN(C)CCCOc1nc2ccccc2c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1C#N.CN(C)CCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2cc(I)ccc21.N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(C2CCCC2)c1=O
InChIInChI=1S/C26H28FN5O2.C24H26IN5O2S.C24H24N4O2S/c1-30(2)12-5-17-34-25-22(18-28)24(21-6-3-4-7-23(21)29-25)31-13-15-32(16-14-31)26(33)19-8-10-20(27)11-9-19;1-27(2)8-4-9-30-20-7-6-17(25)15-18(20)22(19(16-26)23(30)31)28-10-12-29(13-11-28)24(32)21-5-3-14-33-21;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/h3-4,6-11H,5,12-17H2,1-2H3;3,5-7,14-15H,4,8-13H2,1-2H3;3-5,8-10,15,17H,1-2,6-7,11-14H2
InChIKeyRPZTVGMSDIQZOH-UHFFFAOYSA-N
XLogP11.00
TPSA214.62 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.57
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile with MolForge

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Related Compounds

4-[4-(Thiophene-2-carbonyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)quinoline-3-carbonitrile
CID 21081954
4-[4-(Thiophene-2-carbonyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methoxy]quinoline-3-carbonitrile
CID 69479047
2-(2-Cyclohexylethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081926
2-[3-(Dimethylamino)propoxy]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081927
2-[(4-Cyanophenyl)methoxy]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081928
2-[(4-Methoxyphenyl)methoxy]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081930
2-[(4-Methylphenyl)methoxy]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081931
2-Butoxy-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081932
2-(Cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081933
2-(Cyclopropylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081934
2-(Naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081935
2-Pentoxy-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081945

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 160695991) is 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is CN(C)CCCOc1nc2ccccc2c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1C#N.CN(C)CCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2cc(I)ccc21.N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc2n(C2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is RPZTVGMSDIQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2.C24H26IN5O2S.C24H24N4O2S/c1-30(2)12-5-17-34-25-22(18-28)24(21-6-3-4-7-23(21)29-25)31-13-15-32(16-14-31)26(33)19-8-10-20(27)11-9-19;1-27(2)8-4-9-30-20-7-6-17(25)15-18(20)22(19(16-26)23(30)31)28-10-12-29(13-11-28)24(32)21-5-3-14-33-21;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/h3-4,6-11H,5,12-17H2,1-2H3;3,5-7,14-15H,4,8-13H2,1-2H3;3-5,8-10,15,17H,1-2,6-7,11-14H2.
What are the key properties of 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 1469.57 g/mol, XLogP of 11.00, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-[3-(dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 160695991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).