6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile

C73H62Cl2FN13O7 — CID 157246031

IUPAC6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
SMILESCc1ccc2c(c1)c(N1CCN(C(=O)c3ccco3)CC1)c(C#N)c(=O)n2Cc1ccc(F)cc1.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C27H23FN4O3.C24H21N5O2.C22H18Cl2N4O2/c1-18-4-9-23-21(15-18)25(30-10-12-31(13-11-30)27(34)24-3-2-14-35-24)22(16-29)26(33)32(23)17-19-5-7-20(28)8-6-19;1-27-21-9-5-3-7-17(21)22(18(15-25)23(27)30)28-10-12-29(13-11-28)24(31)20-14-16-6-2-4-8-19(16)26-20;1-26-19-7-6-16(24)12-17(19)20(18(13-25)22(26)30)27-8-10-28(11-9-27)21(29)14-2-4-15(23)5-3-14/h2-9,14-15H,10-13,17H2,1H3;2-9,14,26H,10-13H2,1H3;2-7,12H,8-11H2,1H3
InChIKeyAVTUUENZBBMFDV-UHFFFAOYSA-N
MW1323.29 g/mol
LogP10.46
Rot. Bonds8

About 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile

6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile (PubChem CID 157246031) has the molecular formula C73H62Cl2FN13O7 and a molecular weight of 1323.29 g/mol. Its IUPAC name is 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
PubChem CID157246031
Molecular FormulaC73H62Cl2FN13O7
Molecular Weight1323.29 g/mol
Exact Mass1321.43
IUPAC Name6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
SMILESCc1ccc2c(c1)c(N1CCN(C(=O)c3ccco3)CC1)c(C#N)c(=O)n2Cc1ccc(F)cc1.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C27H23FN4O3.C24H21N5O2.C22H18Cl2N4O2/c1-18-4-9-23-21(15-18)25(30-10-12-31(13-11-30)27(34)24-3-2-14-35-24)22(16-29)26(33)32(23)17-19-5-7-20(28)8-6-19;1-27-21-9-5-3-7-17(21)22(18(15-25)23(27)30)28-10-12-29(13-11-28)24(31)20-14-16-6-2-4-8-19(16)26-20;1-26-19-7-6-16(24)12-17(19)20(18(13-25)22(26)30)27-8-10-28(11-9-27)21(29)14-2-4-15(23)5-3-14/h2-9,14-15H,10-13,17H2,1H3;2-9,14,26H,10-13H2,1H3;2-7,12H,8-11H2,1H3
InChIKeyAVTUUENZBBMFDV-UHFFFAOYSA-N
XLogP10.46
TPSA236.95 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001323.29
LogP ≤ 510.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile (CID 157246031) is 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile is Cc1ccc2c(c1)c(N1CCN(C(=O)c3ccco3)CC1)c(C#N)c(=O)n2Cc1ccc(F)cc1.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccc21.Cn1c(=O)c(C#N)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
The InChIKey is AVTUUENZBBMFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3.C24H21N5O2.C22H18Cl2N4O2/c1-18-4-9-23-21(15-18)25(30-10-12-31(13-11-30)27(34)24-3-2-14-35-24)22(16-29)26(33)32(23)17-19-5-7-20(28)8-6-19;1-27-21-9-5-3-7-17(21)22(18(15-25)23(27)30)28-10-12-29(13-11-28)24(31)20-14-16-6-2-4-8-19(16)26-20;1-26-19-7-6-16(24)12-17(19)20(18(13-25)22(26)30)27-8-10-28(11-9-27)21(29)14-2-4-15(23)5-3-14/h2-9,14-15H,10-13,17H2,1H3;2-9,14,26H,10-13H2,1H3;2-7,12H,8-11H2,1H3.
What are the key properties of 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile?
6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile has a molecular weight of 1323.29 g/mol, XLogP of 10.46, 8 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carbonitrile;4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 157246031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).