6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one

C106H126Cl4N26O6 — CID 167612831

IUPAC6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one
SMILESCC1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC(C)(C)c3ncccn3)cc(=O)n4C)n2)CC1.CCC(=O)CCc1cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)CCc1cc2cc(Nc3nc(N4CCC(CC)CC4)ncc3Cl)ccc2n(C)c1=O.CCC1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC(C)(C)c3ncccn3)cc(=O)n4C)n2)CC1
InChIInChI=1S/C28H33ClN8O.C27H31ClN8O.C26H32ClN5O2.C25H30ClN5O2/c1-5-18-9-13-37(14-10-18)27-32-17-21(29)25(34-27)33-19-7-8-23-20(15-19)22(16-24(38)36(23)4)35-28(2,3)26-30-11-6-12-31-26;1-17-8-12-36(13-9-17)26-31-16-20(28)24(33-26)32-18-6-7-22-19(14-18)21(15-23(37)35(22)4)34-27(2,3)25-29-10-5-11-30-25;1-4-17-10-12-32(13-11-17)26-28-16-22(27)24(30-26)29-20-7-9-23-19(15-20)14-18(25(34)31(23)3)6-8-21(33)5-2;1-4-20(32)7-5-17-13-18-14-19(6-8-22(18)30(3)24(17)33)28-23-21(26)15-27-25(29-23)31-11-9-16(2)10-12-31/h6-8,11-12,15-18,35H,5,9-10,13-14H2,1-4H3,(H,32,33,34);5-7,10-11,14-17,34H,8-9,12-13H2,1-4H3,(H,31,32,33);7,9,14-17H,4-6,8,10-13H2,1-3H3,(H,28,29,30);6,8,13-16H,4-5,7,9-12H2,1-3H3,(H,27,28,29)
InChIKeyLHTIAEBUCZZCQA-UHFFFAOYSA-N
MW2002.16 g/mol
LogP20.73
Rot. Bonds28

About 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one

6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one (PubChem CID 167612831) has the molecular formula C106H126Cl4N26O6 and a molecular weight of 2002.16 g/mol. Its IUPAC name is 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one.

Molecular Properties

Compound Name6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one
PubChem CID167612831
Molecular FormulaC106H126Cl4N26O6
Molecular Weight2002.16 g/mol
Exact Mass1998.91
IUPAC Name6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one
SMILESCC1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC(C)(C)c3ncccn3)cc(=O)n4C)n2)CC1.CCC(=O)CCc1cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)CCc1cc2cc(Nc3nc(N4CCC(CC)CC4)ncc3Cl)ccc2n(C)c1=O.CCC1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC(C)(C)c3ncccn3)cc(=O)n4C)n2)CC1
InChIInChI=1S/C28H33ClN8O.C27H31ClN8O.C26H32ClN5O2.C25H30ClN5O2/c1-5-18-9-13-37(14-10-18)27-32-17-21(29)25(34-27)33-19-7-8-23-20(15-19)22(16-24(38)36(23)4)35-28(2,3)26-30-11-6-12-31-26;1-17-8-12-36(13-9-17)26-31-16-20(28)24(33-26)32-18-6-7-22-19(14-18)21(15-23(37)35(22)4)34-27(2,3)25-29-10-5-11-30-25;1-4-17-10-12-32(13-11-17)26-28-16-22(27)24(30-26)29-20-7-9-23-19(15-20)14-18(25(34)31(23)3)6-8-21(33)5-2;1-4-20(32)7-5-17-13-18-14-19(6-8-22(18)30(3)24(17)33)28-23-21(26)15-27-25(29-23)31-11-9-16(2)10-12-31/h6-8,11-12,15-18,35H,5,9-10,13-14H2,1-4H3,(H,32,33,34);5-7,10-11,14-17,34H,8-9,12-13H2,1-4H3,(H,31,32,33);7,9,14-17H,4-6,8,10-13H2,1-3H3,(H,28,29,30);6,8,13-16H,4-5,7,9-12H2,1-3H3,(H,27,28,29)
InChIKeyLHTIAEBUCZZCQA-UHFFFAOYSA-N
XLogP20.73
TPSA361.96 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002002.16
LogP ≤ 520.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one with MolForge

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Related Compounds

6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxobutyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-[(E)-3-oxopent-1-enyl]quinolin-2-one;6-[[5-chloro-2-(3-methylazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxobutyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-[(E)-3-oxopent-1-enyl]quinolin-2-one
CID 167700822
6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentan-2-yloxy)quinolin-2-one
CID 167536741
6-[[2-(4-tert-butylpiperazin-1-yl)-5-chloropyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(4-ethyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[3-chloro-6-(4-ethylpiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[[3-chloro-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one
CID 167668162
6-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one
CID 142478321
6-[[5-chloro-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one
CID 167582959
6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinazolin-2-one
CID 162472418
6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyquinolin-2-one
CID 165380122
2-[6-[[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137496
6-[[5-chloro-2-(4-ethylcyclohexen-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxobutyl)quinolin-2-one
CID 165380166
6-[[5-chloro-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one
CID 167558888
6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
CID 135386592
2-[1-[5-chloro-4-[[1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]piperidin-4-yl]-2-methylpropanoic acid
CID 135137504

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one?
The IUPAC name of 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one (CID 167612831) is 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one.
What is the SMILES notation for 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one?
The canonical SMILES for 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one is CC1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC(C)(C)c3ncccn3)cc(=O)n4C)n2)CC1.CCC(=O)CCc1cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)CCc1cc2cc(Nc3nc(N4CCC(CC)CC4)ncc3Cl)ccc2n(C)c1=O.CCC1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC(C)(C)c3ncccn3)cc(=O)n4C)n2)CC1.
What is the InChIKey of 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one?
The InChIKey is LHTIAEBUCZZCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN8O.C27H31ClN8O.C26H32ClN5O2.C25H30ClN5O2/c1-5-18-9-13-37(14-10-18)27-32-17-21(29)25(34-27)33-19-7-8-23-20(15-19)22(16-24(38)36(23)4)35-28(2,3)26-30-11-6-12-31-26;1-17-8-12-36(13-9-17)26-31-16-20(28)24(33-26)32-18-6-7-22-19(14-18)21(15-23(37)35(22)4)34-27(2,3)25-29-10-5-11-30-25;1-4-17-10-12-32(13-11-17)26-28-16-22(27)24(30-26)29-20-7-9-23-19(15-20)14-18(25(34)31(23)3)6-8-21(33)5-2;1-4-20(32)7-5-17-13-18-14-19(6-8-22(18)30(3)24(17)33)28-23-21(26)15-27-25(29-23)31-11-9-16(2)10-12-31/h6-8,11-12,15-18,35H,5,9-10,13-14H2,1-4H3,(H,32,33,34);5-7,10-11,14-17,34H,8-9,12-13H2,1-4H3,(H,31,32,33);7,9,14-17H,4-6,8,10-13H2,1-3H3,(H,28,29,30);6,8,13-16H,4-5,7,9-12H2,1-3H3,(H,27,28,29).
What are the key properties of 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one?
6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one has a molecular weight of 2002.16 g/mol, XLogP of 20.73, 28 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one is sourced from PubChem (CID 167612831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).