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

C121H138Cl5N25O11 — CID 167700822

IUPAC6-[[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
SMILESCC(=O)CCc1cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(N4CC(C)C4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)/C=C/c1cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)/C=C/c1cc2cc(Nc3nc(N4CCC(CC)CC4)ncc3Cl)ccc2n(C)c1=O.CCC1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)cc(CCC(C)=O)c(=O)n4C)n2)CC1
InChIInChI=1S/C26H30ClN5O2.C25H28ClN5O2.C25H30ClN5O2.C24H28ClN5O2.C21H22ClN5O3/c1-4-17-10-12-32(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;1-4-17-9-11-31(12-10-17)25-27-15-21(26)23(29-25)28-20-7-8-22-19(14-20)13-18(6-5-16(2)32)24(33)30(22)3;1-15-8-10-30(11-9-15)24-26-14-20(25)22(28-24)27-19-6-7-21-18(13-19)12-17(5-4-16(2)31)23(32)29(21)3;1-12-9-27(10-12)21-23-8-16(22)19(25-21)24-15-4-5-17-14(6-15)7-18(20(29)26(17)3)30-11-13(2)28/h6-9,14-17H,4-5,10-13H2,1-3H3,(H,28,29,30);5-8,13-16H,4,9-12H2,1-3H3,(H,27,28,29);7-8,13-15,17H,4-6,9-12H2,1-3H3,(H,27,28,29);6-7,12-15H,4-5,8-11H2,1-3H3,(H,26,27,28);4-8,12H,9-11H2,1-3H3,(H,23,24,25)/b8-6+;7-5+;;;
InChIKeyYJADXUUDWXFWBB-NMGPSLIDSA-N
MW2295.86 g/mol
LogP22.80
Rot. Bonds32

About 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

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 (PubChem CID 167700822) has the molecular formula C121H138Cl5N25O11 and a molecular weight of 2295.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID167700822
Molecular FormulaC121H138Cl5N25O11
Molecular Weight2295.86 g/mol
Exact Mass2291.95
IUPAC Name6-[[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
SMILESCC(=O)CCc1cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(N4CC(C)C4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)/C=C/c1cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)/C=C/c1cc2cc(Nc3nc(N4CCC(CC)CC4)ncc3Cl)ccc2n(C)c1=O.CCC1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)cc(CCC(C)=O)c(=O)n4C)n2)CC1
InChIInChI=1S/C26H30ClN5O2.C25H28ClN5O2.C25H30ClN5O2.C24H28ClN5O2.C21H22ClN5O3/c1-4-17-10-12-32(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;1-4-17-9-11-31(12-10-17)25-27-15-21(26)23(29-25)28-20-7-8-22-19(14-20)13-18(6-5-16(2)32)24(33)30(22)3;1-15-8-10-30(11-9-15)24-26-14-20(25)22(28-24)27-19-6-7-21-18(13-19)12-17(5-4-16(2)31)23(32)29(21)3;1-12-9-27(10-12)21-23-8-16(22)19(25-21)24-15-4-5-17-14(6-15)7-18(20(29)26(17)3)30-11-13(2)28/h6-9,14-17H,4-5,10-13H2,1-3H3,(H,28,29,30);5-8,13-16H,4,9-12H2,1-3H3,(H,27,28,29);7-8,13-15,17H,4-6,9-12H2,1-3H3,(H,27,28,29);6-7,12-15H,4-5,8-11H2,1-3H3,(H,26,27,28);4-8,12H,9-11H2,1-3H3,(H,23,24,25)/b8-6+;7-5+;;;
InChIKeyYJADXUUDWXFWBB-NMGPSLIDSA-N
XLogP22.80
TPSA409.83 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002295.86
LogP ≤ 522.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-[6-[[5-chloro-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-ethylacetamide
CID 135138050
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-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentan-2-yloxy)quinolin-2-one
CID 167536741
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
2-[6-[[5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137908
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
6-[[5-chloro-2-(cyclohexen-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;bis(6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(3-oxobutyl)quinolin-2-one);ethane;propane
CID 167696899
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
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
2-[6-[[5-chloro-2-(4-fluoroazepan-1-yl)pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137511
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
2-[6-[[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137742

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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CCc1cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(N4CC(C)C4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)/C=C/c1cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)/C=C/c1cc2cc(Nc3nc(N4CCC(CC)CC4)ncc3Cl)ccc2n(C)c1=O.CCC1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)cc(CCC(C)=O)c(=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-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?
The InChIKey is YJADXUUDWXFWBB-NMGPSLIDSA-N. The full InChI is InChI=1S/C26H30ClN5O2.C25H28ClN5O2.C25H30ClN5O2.C24H28ClN5O2.C21H22ClN5O3/c1-4-17-10-12-32(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;1-4-17-9-11-31(12-10-17)25-27-15-21(26)23(29-25)28-20-7-8-22-19(14-20)13-18(6-5-16(2)32)24(33)30(22)3;1-15-8-10-30(11-9-15)24-26-14-20(25)22(28-24)27-19-6-7-21-18(13-19)12-17(5-4-16(2)31)23(32)29(21)3;1-12-9-27(10-12)21-23-8-16(22)19(25-21)24-15-4-5-17-14(6-15)7-18(20(29)26(17)3)30-11-13(2)28/h6-9,14-17H,4-5,10-13H2,1-3H3,(H,28,29,30);5-8,13-16H,4,9-12H2,1-3H3,(H,27,28,29);7-8,13-15,17H,4-6,9-12H2,1-3H3,(H,27,28,29);6-7,12-15H,4-5,8-11H2,1-3H3,(H,26,27,28);4-8,12H,9-11H2,1-3H3,(H,23,24,25)/b8-6+;7-5+;;;.
What are the key properties of 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?
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 has a molecular weight of 2295.86 g/mol, XLogP of 22.80, 32 rotatable bonds, 5 hydrogen bond donors, and 36 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-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 is sourced from PubChem (CID 167700822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).