6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

C73H62ClFN14O8S — CID 160975990

IUPAC6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCOc1ccc(Cn2c(=O)c(C#N)c(N3CCN(C(=O)c4cccs4)CC3)c3ccccc32)cc1.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccco3)CC2)c2cc(Cl)ccc21.N#Cc1c(N2CCN(C(=O)c3cnccn3)CC2)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C27H24N4O3S.C26H21FN6O2.C20H17ClN4O3/c1-34-20-10-8-19(9-11-20)18-31-23-6-3-2-5-21(23)25(22(17-28)26(31)32)29-12-14-30(15-13-29)27(33)24-7-4-16-35-24;27-19-7-5-18(6-8-19)17-33-23-4-2-1-3-20(23)24(21(15-28)25(33)34)31-11-13-32(14-12-31)26(35)22-16-29-9-10-30-22;1-23-16-5-4-13(21)11-14(16)18(15(12-22)19(23)26)24-6-8-25(9-7-24)20(27)17-3-2-10-28-17/h2-11,16H,12-15,18H2,1H3;1-10,16H,11-14,17H2;2-5,10-11H,6-9H2,1H3
InChIKeySYWIDLXQQUIBQQ-UHFFFAOYSA-N
MW1349.91 g/mol
LogP9.39
Rot. Bonds11

About 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 160975990) has the molecular formula C73H62ClFN14O8S and a molecular weight of 1349.91 g/mol. Its IUPAC name is 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID160975990
Molecular FormulaC73H62ClFN14O8S
Molecular Weight1349.91 g/mol
Exact Mass1348.43
IUPAC Name6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCOc1ccc(Cn2c(=O)c(C#N)c(N3CCN(C(=O)c4cccs4)CC3)c3ccccc32)cc1.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccco3)CC2)c2cc(Cl)ccc21.N#Cc1c(N2CCN(C(=O)c3cnccn3)CC2)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C27H24N4O3S.C26H21FN6O2.C20H17ClN4O3/c1-34-20-10-8-19(9-11-20)18-31-23-6-3-2-5-21(23)25(22(17-28)26(31)32)29-12-14-30(15-13-29)27(33)24-7-4-16-35-24;27-19-7-5-18(6-8-19)17-33-23-4-2-1-3-20(23)24(21(15-28)25(33)34)31-11-13-32(14-12-31)26(35)22-16-29-9-10-30-22;1-23-16-5-4-13(21)11-14(16)18(15(12-22)19(23)26)24-6-8-25(9-7-24)20(27)17-3-2-10-28-17/h2-11,16H,12-15,18H2,1H3;1-10,16H,11-14,17H2;2-5,10-11H,6-9H2,1H3
InChIKeySYWIDLXQQUIBQQ-UHFFFAOYSA-N
XLogP9.39
TPSA256.17 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001349.91
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(Dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;1-[2-(dimethylamino)ethyl]-6-iodo-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 157295302
6-Chloro-1-[(4-fluorophenyl)methyl]-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;1-(2-cyclohexylethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;1-(furan-3-ylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 157675436
1-Benzyl-6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;2-oxo-1-propyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 158397136
1-[2-(Dimethylamino)ethyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 159275482
1-Benzyl-6-chloro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 159657788
6-Chloro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;6-chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 160701327
1-[(4-Fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-(3-methylbutyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 161754639
6-Chloro-1-[(4-fluorophenyl)methyl]-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;1-cyclopentyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;1-methyl-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 162034684
6-Chloro-1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[3-(dimethylamino)propyl]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carbonitrile
CID 162208563

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 160975990) is 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is COc1ccc(Cn2c(=O)c(C#N)c(N3CCN(C(=O)c4cccs4)CC3)c3ccccc32)cc1.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccco3)CC2)c2cc(Cl)ccc21.N#Cc1c(N2CCN(C(=O)c3cnccn3)CC2)c2ccccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is SYWIDLXQQUIBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S.C26H21FN6O2.C20H17ClN4O3/c1-34-20-10-8-19(9-11-20)18-31-23-6-3-2-5-21(23)25(22(17-28)26(31)32)29-12-14-30(15-13-29)27(33)24-7-4-16-35-24;27-19-7-5-18(6-8-19)17-33-23-4-2-1-3-20(23)24(21(15-28)25(33)34)31-11-13-32(14-12-31)26(35)22-16-29-9-10-30-22;1-23-16-5-4-13(21)11-14(16)18(15(12-22)19(23)26)24-6-8-25(9-7-24)20(27)17-3-2-10-28-17/h2-11,16H,12-15,18H2,1H3;1-10,16H,11-14,17H2;2-5,10-11H,6-9H2,1H3.
What are the key properties of 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 1349.91 g/mol, XLogP of 9.39, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 160975990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).