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

C101H127Cl4N19O11 — CID 167696899

IUPAC6-[[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
SMILESCC.CC(=O)CCc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)CCc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(C4=CCCCC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(N4CCOCC4)ncc3Cl)ccc2n(C)c1=O.CCC.CCC.CCC
InChIInChI=1S/2C23H26ClN5O2.C23H23ClN4O3.C21H22ClN5O4.3C3H8.C2H6/c2*1-15(30)6-7-16-12-17-13-18(8-9-20(17)28(2)22(16)31)26-21-19(24)14-25-23(27-21)29-10-4-3-5-11-29;1-14(29)13-31-20-11-16-10-17(8-9-19(16)28(2)23(20)30)26-22-18(24)12-25-21(27-22)15-6-4-3-5-7-15;1-13(28)12-31-18-10-14-9-15(3-4-17(14)26(2)20(18)29)24-19-16(22)11-23-21(25-19)27-5-7-30-8-6-27;3*1-3-2;1-2/h2*8-9,12-14H,3-7,10-11H2,1-2H3,(H,25,26,27);6,8-12H,3-5,7,13H2,1-2H3,(H,25,26,27);3-4,9-11H,5-8,12H2,1-2H3,(H,23,24,25);3*3H2,1-2H3;1-2H3
InChIKeyXUDOKPRMVJATEA-UHFFFAOYSA-N
MW1925.06 g/mol
LogP20.93
Rot. Bonds24

About 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

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 (PubChem CID 167696899) has the molecular formula C101H127Cl4N19O11 and a molecular weight of 1925.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID167696899
Molecular FormulaC101H127Cl4N19O11
Molecular Weight1925.06 g/mol
Exact Mass1921.87
IUPAC Name6-[[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
SMILESCC.CC(=O)CCc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)CCc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(C4=CCCCC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(N4CCOCC4)ncc3Cl)ccc2n(C)c1=O.CCC.CCC.CCC
InChIInChI=1S/2C23H26ClN5O2.C23H23ClN4O3.C21H22ClN5O4.3C3H8.C2H6/c2*1-15(30)6-7-16-12-17-13-18(8-9-20(17)28(2)22(16)31)26-21-19(24)14-25-23(27-21)29-10-4-3-5-11-29;1-14(29)13-31-20-11-16-10-17(8-9-19(16)28(2)23(20)30)26-22-18(24)12-25-21(27-22)15-6-4-3-5-7-15;1-13(28)12-31-18-10-14-9-15(3-4-17(14)26(2)20(18)29)24-19-16(22)11-23-21(25-19)27-5-7-30-8-6-27;3*1-3-2;1-2/h2*8-9,12-14H,3-7,10-11H2,1-2H3,(H,25,26,27);6,8-12H,3-5,7,13H2,1-2H3,(H,25,26,27);3-4,9-11H,5-8,12H2,1-2H3,(H,23,24,25);3*3H2,1-2H3;1-2H3
InChIKeyXUDOKPRMVJATEA-UHFFFAOYSA-N
XLogP20.93
TPSA344.93 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001925.06
LogP ≤ 520.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze 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 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

6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-ethoxy-1-methylquinolin-2-one
CID 156729296
6-[[5-chloro-2-(4-methylcyclohexen-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;ethane
CID 156729620
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
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-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-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one
CID 167532311
6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one;6-[(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-ethyl-3-(2-oxobutoxy)quinolin-2-one;bis(6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-methoxyethyl)-3-(2-oxobutoxy)quinolin-2-one);6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;ethane;propane
CID 167538003
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
2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-ethylacetamide
CID 166077300
6-[[5-chloro-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one
CID 167582959
2-[6-[[5-chloro-2-[3-(ethylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetic acid
CID 135138077

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC(=O)CCc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)CCc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(C4=CCCCC4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(N4CCOCC4)ncc3Cl)ccc2n(C)c1=O.CCC.CCC.CCC.
What is the InChIKey of 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?
The InChIKey is XUDOKPRMVJATEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H26ClN5O2.C23H23ClN4O3.C21H22ClN5O4.3C3H8.C2H6/c2*1-15(30)6-7-16-12-17-13-18(8-9-20(17)28(2)22(16)31)26-21-19(24)14-25-23(27-21)29-10-4-3-5-11-29;1-14(29)13-31-20-11-16-10-17(8-9-19(16)28(2)23(20)30)26-22-18(24)12-25-21(27-22)15-6-4-3-5-7-15;1-13(28)12-31-18-10-14-9-15(3-4-17(14)26(2)20(18)29)24-19-16(22)11-23-21(25-19)27-5-7-30-8-6-27;3*1-3-2;1-2/h2*8-9,12-14H,3-7,10-11H2,1-2H3,(H,25,26,27);6,8-12H,3-5,7,13H2,1-2H3,(H,25,26,27);3-4,9-11H,5-8,12H2,1-2H3,(H,23,24,25);3*3H2,1-2H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1925.06 g/mol, XLogP of 20.93, 24 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167696899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).