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

C74H65ClFN13O8S — CID 158397136

IUPAC1-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
SMILESCCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc21.Cc1cc(C(=O)N2CCN(c3c(C#N)c(=O)n(Cc4ccc(F)cc4)c4ccccc34)CC2)no1.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(Cl)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H21ClN4O3.C26H22FN5O3.C22H22N4O2S/c27-19-8-9-22-20(15-19)24(21(16-28)25(32)31(22)17-18-5-2-1-3-6-18)29-10-12-30(13-11-29)26(33)23-7-4-14-34-23;1-17-14-22(29-35-17)26(34)31-12-10-30(11-13-31)24-20-4-2-3-5-23(20)32(25(33)21(24)15-28)16-18-6-8-19(27)9-7-18;1-2-9-26-18-7-4-3-6-16(18)20(17(15-23)21(26)27)24-10-12-25(13-11-24)22(28)19-8-5-14-29-19/h1-9,14-15H,10-13,17H2;2-9,14H,10-13,16H2,1H3;3-8,14H,2,9-13H2,1H3
InChIKeyGXQLDTJLSMEFEL-UHFFFAOYSA-N
MW1350.93 g/mol
LogP10.76
Rot. Bonds12

About 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

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 (PubChem CID 158397136) has the molecular formula C74H65ClFN13O8S and a molecular weight of 1350.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158397136
Molecular FormulaC74H65ClFN13O8S
Molecular Weight1350.93 g/mol
Exact Mass1349.45
IUPAC Name1-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
SMILESCCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc21.Cc1cc(C(=O)N2CCN(c3c(C#N)c(=O)n(Cc4ccc(F)cc4)c4ccccc34)CC2)no1.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(Cl)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H21ClN4O3.C26H22FN5O3.C22H22N4O2S/c27-19-8-9-22-20(15-19)24(21(16-28)25(32)31(22)17-18-5-2-1-3-6-18)29-10-12-30(13-11-29)26(33)23-7-4-14-34-23;1-17-14-22(29-35-17)26(34)31-12-10-30(11-13-31)24-20-4-2-3-5-23(20)32(25(33)21(24)15-28)16-18-6-8-19(27)9-7-18;1-2-9-26-18-7-4-3-6-16(18)20(17(15-23)21(26)27)24-10-12-25(13-11-24)22(28)19-8-5-14-29-19/h1-9,14-15H,10-13,17H2;2-9,14H,10-13,16H2,1H3;3-8,14H,2,9-13H2,1H3
InChIKeyGXQLDTJLSMEFEL-UHFFFAOYSA-N
XLogP10.76
TPSA247.19 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001350.93
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 1-(cyclohexylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate
CID 158537441
Ethyl 1-(cyclohexylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate;methane
CID 158757158
Ethyl 1-(cyclohexylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate
CID 159231658
Ethyl 1-(cyclohexylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-(2,2-dimethylpropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinoline-3-carboxylate
CID 160142274
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]-3-nitroquinolin-2-one;1-benzyl-6-methyl-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;1-[2-(dimethylamino)ethyl]-6-methyl-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one
CID 157789203
1-Benzyl-6-chloro-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;6-chloro-1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 159280023
6-Chloro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;6-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one;6-chloro-1-methyl-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;methane
CID 160292625
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
1-Benzyl-6-chloro-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;6-chloro-1-[2-(dimethylamino)ethyl]-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitroquinolin-2-one
CID 161154668
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
1-Benzyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;6-chloro-1-[3-(dimethylamino)propyl]-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile;1-methyl-4-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 162048051

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2ccccc21.Cc1cc(C(=O)N2CCN(c3c(C#N)c(=O)n(Cc4ccc(F)cc4)c4ccccc34)CC2)no1.N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(Cl)ccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 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?
The InChIKey is GXQLDTJLSMEFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O3.C26H22FN5O3.C22H22N4O2S/c27-19-8-9-22-20(15-19)24(21(16-28)25(32)31(22)17-18-5-2-1-3-6-18)29-10-12-30(13-11-29)26(33)23-7-4-14-34-23;1-17-14-22(29-35-17)26(34)31-12-10-30(11-13-31)24-20-4-2-3-5-23(20)32(25(33)21(24)15-28)16-18-6-8-19(27)9-7-18;1-2-9-26-18-7-4-3-6-16(18)20(17(15-23)21(26)27)24-10-12-25(13-11-24)22(28)19-8-5-14-29-19/h1-9,14-15H,10-13,17H2;2-9,14H,10-13,16H2,1H3;3-8,14H,2,9-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1350.93 g/mol, XLogP of 10.76, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158397136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).