6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile

C69H64ClN15O8S — CID 157062920

IUPAC6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
SMILESCNc1nsnc1C(=O)N1CCN(c2c(C#N)c(=O)n(C)c3ccccc23)CC1.COc1ccc(C(=O)N2CCN(c3c(C#N)c(=O)n(C)c4ccc(Cl)cc34)CC2)cc1.Cc1ccc2nc(OCc3ccccc3)c(C#N)c(N3CCN(C(=O)c4ccco4)CC3)c2c1
InChIInChI=1S/C27H24N4O3.C23H21ClN4O3.C19H19N7O2S/c1-19-9-10-23-21(16-19)25(22(17-28)26(29-23)34-18-20-6-3-2-4-7-20)30-11-13-31(14-12-30)27(32)24-8-5-15-33-24;1-26-20-8-5-16(24)13-18(20)21(19(14-25)23(26)30)27-9-11-28(12-10-27)22(29)15-3-6-17(31-2)7-4-15;1-21-17-15(22-29-23-17)19(28)26-9-7-25(8-10-26)16-12-5-3-4-6-14(12)24(2)18(27)13(16)11-20/h2-10,15-16H,11-14,18H2,1H3;3-8,13H,9-12H2,1-2H3;3-6H,7-10H2,1-2H3,(H,21,23)
InChIKeyABNMZKDIEFVGBM-UHFFFAOYSA-N
MW1298.89 g/mol
LogP8.85
Rot. Bonds11

About 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile

6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile (PubChem CID 157062920) has the molecular formula C69H64ClN15O8S and a molecular weight of 1298.89 g/mol. Its IUPAC name is 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
PubChem CID157062920
Molecular FormulaC69H64ClN15O8S
Molecular Weight1298.89 g/mol
Exact Mass1297.45
IUPAC Name6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
SMILESCNc1nsnc1C(=O)N1CCN(c2c(C#N)c(=O)n(C)c3ccccc23)CC1.COc1ccc(C(=O)N2CCN(c3c(C#N)c(=O)n(C)c4ccc(Cl)cc34)CC2)cc1.Cc1ccc2nc(OCc3ccccc3)c(C#N)c(N3CCN(C(=O)c4ccco4)CC3)c2c1
InChIInChI=1S/C27H24N4O3.C23H21ClN4O3.C19H19N7O2S/c1-19-9-10-23-21(16-19)25(22(17-28)26(29-23)34-18-20-6-3-2-4-7-20)30-11-13-31(14-12-30)27(32)24-8-5-15-33-24;1-26-20-8-5-16(24)13-18(20)21(19(14-25)23(26)30)27-9-11-28(12-10-27)22(29)15-3-6-17(31-2)7-4-15;1-21-17-15(22-29-23-17)19(28)26-9-7-25(8-10-26)16-12-5-3-4-6-14(12)24(2)18(27)13(16)11-20/h2-10,15-16H,11-14,18H2,1H3;3-8,13H,9-12H2,1-2H3;3-6H,7-10H2,1-2H3,(H,21,23)
InChIKeyABNMZKDIEFVGBM-UHFFFAOYSA-N
XLogP8.85
TPSA268.32 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001298.89
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157064735
CID 157064735
CID 158300603
CID 158300603
CID 159856066
CID 159856066
CID 161575391
CID 161575391
CID 161592198
CID 161592198
CID 162128344
CID 162128344

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile (CID 157062920) is 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile is CNc1nsnc1C(=O)N1CCN(c2c(C#N)c(=O)n(C)c3ccccc23)CC1.COc1ccc(C(=O)N2CCN(c3c(C#N)c(=O)n(C)c4ccc(Cl)cc34)CC2)cc1.Cc1ccc2nc(OCc3ccccc3)c(C#N)c(N3CCN(C(=O)c4ccco4)CC3)c2c1.
What is the InChIKey of 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
The InChIKey is ABNMZKDIEFVGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3.C23H21ClN4O3.C19H19N7O2S/c1-19-9-10-23-21(16-19)25(22(17-28)26(29-23)34-18-20-6-3-2-4-7-20)30-11-13-31(14-12-30)27(32)24-8-5-15-33-24;1-26-20-8-5-16(24)13-18(20)21(19(14-25)23(26)30)27-9-11-28(12-10-27)22(29)15-3-6-17(31-2)7-4-15;1-21-17-15(22-29-23-17)19(28)26-9-7-25(8-10-26)16-12-5-3-4-6-14(12)24(2)18(27)13(16)11-20/h2-10,15-16H,11-14,18H2,1H3;3-8,13H,9-12H2,1-2H3;3-6H,7-10H2,1-2H3,(H,21,23).
What are the key properties of 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile?
6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile has a molecular weight of 1298.89 g/mol, XLogP of 8.85, 11 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-phenylmethoxyquinoline-3-carbonitrile;1-methyl-4-[4-[4-(methylamino)-1,2,5-thiadiazole-3-carbonyl]piperazin-1-yl]-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 157062920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).