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

C93H77BrCl3F3N16O9 — CID 159228811

IUPAC4-[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
SMILESCc1ccc2c(c1)c(N1CCN(C(=O)c3ccc(F)cc3)CC1)c(C#N)c(=O)n2C.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(Br)o3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.N#Cc1c(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2cc(Cl)ccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C28H20Cl3FN4O2.C23H21FN4O2.C22H19FN4O2.C20H17BrN4O3/c29-19-4-8-25-21(14-19)26(22(15-33)28(38)36(25)16-17-1-5-20(32)6-2-17)34-9-11-35(12-10-34)27(37)18-3-7-23(30)24(31)13-18;1-15-3-8-20-18(13-15)21(19(14-25)23(30)26(20)2)27-9-11-28(12-10-27)22(29)16-4-6-17(24)7-5-16;1-25-19-5-3-2-4-17(19)20(18(14-24)22(25)29)26-10-12-27(13-11-26)21(28)15-6-8-16(23)9-7-15;1-23-15-5-3-2-4-13(15)18(14(12-22)19(23)26)24-8-10-25(11-9-24)20(27)16-6-7-17(21)28-16/h1-8,13-14H,9-12,16H2;3-8,13H,9-12H2,1-2H3;2-9H,10-13H2,1H3;2-7H,8-11H2,1H3
InChIKeyKSQBFGOHAGJTEX-UHFFFAOYSA-N
MW1806.00 g/mol
LogP14.04
Rot. Bonds10

About 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

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 (PubChem CID 159228811) has the molecular formula C93H77BrCl3F3N16O9 and a molecular weight of 1806.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159228811
Molecular FormulaC93H77BrCl3F3N16O9
Molecular Weight1806.00 g/mol
Exact Mass1802.43
IUPAC Name4-[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
SMILESCc1ccc2c(c1)c(N1CCN(C(=O)c3ccc(F)cc3)CC1)c(C#N)c(=O)n2C.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(Br)o3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.N#Cc1c(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2cc(Cl)ccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C28H20Cl3FN4O2.C23H21FN4O2.C22H19FN4O2.C20H17BrN4O3/c29-19-4-8-25-21(14-19)26(22(15-33)28(38)36(25)16-17-1-5-20(32)6-2-17)34-9-11-35(12-10-34)27(37)18-3-7-23(30)24(31)13-18;1-15-3-8-20-18(13-15)21(19(14-25)23(30)26(20)2)27-9-11-28(12-10-27)22(29)16-4-6-17(24)7-5-16;1-25-19-5-3-2-4-17(19)20(18(14-24)22(25)29)26-10-12-27(13-11-26)21(28)15-6-8-16(23)9-7-15;1-23-15-5-3-2-4-13(15)18(14(12-22)19(23)26)24-8-10-25(11-9-24)20(27)16-6-7-17(21)28-16/h1-8,13-14H,9-12,16H2;3-8,13H,9-12H2,1-2H3;2-9H,10-13H2,1H3;2-7H,8-11H2,1H3
InChIKeyKSQBFGOHAGJTEX-UHFFFAOYSA-N
XLogP14.04
TPSA290.50 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.00
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)c(N1CCN(C(=O)c3ccc(F)cc3)CC1)c(C#N)c(=O)n2C.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(Br)o3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21.N#Cc1c(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2cc(Cl)ccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 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?
The InChIKey is KSQBFGOHAGJTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl3FN4O2.C23H21FN4O2.C22H19FN4O2.C20H17BrN4O3/c29-19-4-8-25-21(14-19)26(22(15-33)28(38)36(25)16-17-1-5-20(32)6-2-17)34-9-11-35(12-10-34)27(37)18-3-7-23(30)24(31)13-18;1-15-3-8-20-18(13-15)21(19(14-25)23(30)26(20)2)27-9-11-28(12-10-27)22(29)16-4-6-17(24)7-5-16;1-25-19-5-3-2-4-17(19)20(18(14-24)22(25)29)26-10-12-27(13-11-26)21(28)15-6-8-16(23)9-7-15;1-23-15-5-3-2-4-13(15)18(14(12-22)19(23)26)24-8-10-25(11-9-24)20(27)16-6-7-17(21)28-16/h1-8,13-14H,9-12,16H2;3-8,13H,9-12H2,1-2H3;2-9H,10-13H2,1H3;2-7H,8-11H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1806.00 g/mol, XLogP of 14.04, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159228811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).