6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one

C115H146Cl4N24O12 — CID 167576530

IUPAC6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one
SMILESCCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CCN(C)C5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CCN(C)CC5)C4)ncc3Cl)ccc2n(C(C)C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CCN(C)CC5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CN(C)C5)C4)ncc3Cl)ccc2n(C(C)C)c1=O
InChIInChI=1S/C30H39ClN6O3.2C29H37ClN6O3.C27H33ClN6O3/c1-5-23(38)19-40-26-17-21-16-22(6-7-25(21)37(20(2)3)28(26)39)33-27-24(31)18-32-29(34-27)36-14-10-30(11-15-36)8-12-35(4)13-9-30;1-5-22(37)17-39-25-15-20-14-21(6-7-24(20)36(19(2)3)27(25)38)32-26-23(30)16-31-28(33-26)35-12-9-29(10-13-35)8-11-34(4)18-29;1-5-22(37)17-39-25-15-20-14-21(6-7-24(20)36(19(2)3)27(25)38)32-26-23(30)16-31-28(33-26)35-13-10-29(18-35)8-11-34(4)12-9-29;1-5-20(35)13-37-23-11-18-10-19(6-7-22(18)34(17(2)3)25(23)36)30-24-21(28)12-29-26(31-24)33-9-8-27(16-33)14-32(4)15-27/h6-7,16-18,20H,5,8-15,19H2,1-4H3,(H,32,33,34);2*6-7,14-16,19H,5,8-13,17-18H2,1-4H3,(H,31,32,33);6-7,10-12,17H,5,8-9,13-16H2,1-4H3,(H,29,30,31)
InChIKeyGPMAPIDIPNQKQN-UHFFFAOYSA-N
MW2198.40 g/mol
LogP19.81
Rot. Bonds32

About 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one

6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one (PubChem CID 167576530) has the molecular formula C115H146Cl4N24O12 and a molecular weight of 2198.40 g/mol. Its IUPAC name is 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one
PubChem CID167576530
Molecular FormulaC115H146Cl4N24O12
Molecular Weight2198.40 g/mol
Exact Mass2195.03
IUPAC Name6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one
SMILESCCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CCN(C)C5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CCN(C)CC5)C4)ncc3Cl)ccc2n(C(C)C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CCN(C)CC5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CN(C)C5)C4)ncc3Cl)ccc2n(C(C)C)c1=O
InChIInChI=1S/C30H39ClN6O3.2C29H37ClN6O3.C27H33ClN6O3/c1-5-23(38)19-40-26-17-21-16-22(6-7-25(21)37(20(2)3)28(26)39)33-27-24(31)18-32-29(34-27)36-14-10-30(11-15-36)8-12-35(4)13-9-30;1-5-22(37)17-39-25-15-20-14-21(6-7-24(20)36(19(2)3)27(25)38)32-26-23(30)16-31-28(33-26)35-12-9-29(10-13-35)8-11-34(4)18-29;1-5-22(37)17-39-25-15-20-14-21(6-7-24(20)36(19(2)3)27(25)38)32-26-23(30)16-31-28(33-26)35-13-10-29(18-35)8-11-34(4)12-9-29;1-5-20(35)13-37-23-11-18-10-19(6-7-22(18)34(17(2)3)25(23)36)30-24-21(28)12-29-26(31-24)33-9-8-27(16-33)14-32(4)15-27/h6-7,16-18,20H,5,8-15,19H2,1-4H3,(H,32,33,34);2*6-7,14-16,19H,5,8-13,17-18H2,1-4H3,(H,31,32,33);6-7,10-12,17H,5,8-9,13-16H2,1-4H3,(H,29,30,31)
InChIKeyGPMAPIDIPNQKQN-UHFFFAOYSA-N
XLogP19.81
TPSA370.36 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.40
LogP ≤ 519.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one?
The IUPAC name of 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one (CID 167576530) is 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one.
What is the SMILES notation for 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one?
The canonical SMILES for 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one is CCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CCN(C)C5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CCN(C)CC5)C4)ncc3Cl)ccc2n(C(C)C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CCN(C)CC5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC5(CN(C)C5)C4)ncc3Cl)ccc2n(C(C)C)c1=O.
What is the InChIKey of 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one?
The InChIKey is GPMAPIDIPNQKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN6O3.2C29H37ClN6O3.C27H33ClN6O3/c1-5-23(38)19-40-26-17-21-16-22(6-7-25(21)37(20(2)3)28(26)39)33-27-24(31)18-32-29(34-27)36-14-10-30(11-15-36)8-12-35(4)13-9-30;1-5-22(37)17-39-25-15-20-14-21(6-7-24(20)36(19(2)3)27(25)38)32-26-23(30)16-31-28(33-26)35-12-9-29(10-13-35)8-11-34(4)18-29;1-5-22(37)17-39-25-15-20-14-21(6-7-24(20)36(19(2)3)27(25)38)32-26-23(30)16-31-28(33-26)35-13-10-29(18-35)8-11-34(4)12-9-29;1-5-20(35)13-37-23-11-18-10-19(6-7-22(18)34(17(2)3)25(23)36)30-24-21(28)12-29-26(31-24)33-9-8-27(16-33)14-32(4)15-27/h6-7,16-18,20H,5,8-15,19H2,1-4H3,(H,32,33,34);2*6-7,14-16,19H,5,8-13,17-18H2,1-4H3,(H,31,32,33);6-7,10-12,17H,5,8-9,13-16H2,1-4H3,(H,29,30,31).
What are the key properties of 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one?
6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one has a molecular weight of 2198.40 g/mol, XLogP of 19.81, 32 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one is sourced from PubChem (CID 167576530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).