6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one

C141H172Cl5N25O20 — CID 167603313

IUPAC6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one
SMILESCCC(=O)COc1cc2cc(Nc3nc(N4CCCC(CC)C4)ncc3Cl)ccc2n(CC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCCC(CC)C4)ncc3Cl)ccc2n(CCC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](C)C4)ncc3Cl)ccc2n(CC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](CC)C4)ncc3Cl)ccc2n(CC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](CC)C4)ncc3Cl)ccc2n(CCC2COC2)c1=O
InChIInChI=1S/2C29H36ClN5O4.2C28H34ClN5O4.C27H32ClN5O4/c2*1-3-19-6-5-10-34(15-19)29-31-14-24(30)27(33-29)32-22-7-8-25-21(12-22)13-26(39-18-23(36)4-2)28(37)35(25)11-9-20-16-38-17-20;2*1-3-18-6-5-9-33(13-18)28-30-12-23(29)26(32-28)31-21-7-8-24-20(10-21)11-25(38-17-22(35)4-2)27(36)34(24)14-19-15-37-16-19;1-3-21(34)16-37-24-10-19-9-20(6-7-23(19)33(26(24)35)13-18-14-36-15-18)30-25-22(28)11-29-27(31-25)32-8-4-5-17(2)12-32/h2*7-8,12-14,19-20H,3-6,9-11,15-18H2,1-2H3,(H,31,32,33);2*7-8,10-12,18-19H,3-6,9,13-17H2,1-2H3,(H,30,31,32);6-7,9-11,17-18H,3-5,8,12-16H2,1-2H3,(H,29,30,31)/t19-;;18-;;17-/m0.0.0/s1
InChIKeyKAMVLCUIEPVQEF-OIRBOTANSA-N
MW2714.35 g/mol
LogP24.49
Rot. Bonds51

About 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one

6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one (PubChem CID 167603313) has the molecular formula C141H172Cl5N25O20 and a molecular weight of 2714.35 g/mol. Its IUPAC name is 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one.

Molecular Properties

Compound Name6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one
PubChem CID167603313
Molecular FormulaC141H172Cl5N25O20
Molecular Weight2714.35 g/mol
Exact Mass2710.17
IUPAC Name6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one
SMILESCCC(=O)COc1cc2cc(Nc3nc(N4CCCC(CC)C4)ncc3Cl)ccc2n(CC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCCC(CC)C4)ncc3Cl)ccc2n(CCC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](C)C4)ncc3Cl)ccc2n(CC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](CC)C4)ncc3Cl)ccc2n(CC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](CC)C4)ncc3Cl)ccc2n(CCC2COC2)c1=O
InChIInChI=1S/2C29H36ClN5O4.2C28H34ClN5O4.C27H32ClN5O4/c2*1-3-19-6-5-10-34(15-19)29-31-14-24(30)27(33-29)32-22-7-8-25-21(12-22)13-26(39-18-23(36)4-2)28(37)35(25)11-9-20-16-38-17-20;2*1-3-18-6-5-9-33(13-18)28-30-12-23(29)26(32-28)31-21-7-8-24-20(10-21)11-25(38-17-22(35)4-2)27(36)34(24)14-19-15-37-16-19;1-3-21(34)16-37-24-10-19-9-20(6-7-23(19)33(26(24)35)13-18-14-36-15-18)30-25-22(28)11-29-27(31-25)32-8-4-5-17(2)12-32/h2*7-8,12-14,19-20H,3-6,9-11,15-18H2,1-2H3,(H,31,32,33);2*7-8,10-12,18-19H,3-6,9,13-17H2,1-2H3,(H,30,31,32);6-7,9-11,17-18H,3-5,8,12-16H2,1-2H3,(H,29,30,31)/t19-;;18-;;17-/m0.0.0/s1
InChIKeyKAMVLCUIEPVQEF-OIRBOTANSA-N
XLogP24.49
TPSA492.90 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds51
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002714.35
LogP ≤ 524.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Analyze 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-butyl-6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)quinolin-2-one
CID 167660493
6-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-(2-cyclopropylethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-(2-cyclopropylethyl)-3-(2-oxobutoxy)quinolin-2-one
CID 167601504
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-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-(2-cyclopropylethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-cyclopropyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1-cyclopropyl-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-cyclopropyl-3-(2-oxobutoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-cyclopropyl-3-(2-oxobutoxy)quinolin-2-one;ethane
CID 167560147
6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(2-methoxyethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(2-methoxyethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(2-methoxyethyl)-3-(2-oxobutoxy)quinolin-2-one
CID 167575116
6-[[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-pentylquinolin-2-one
CID 167613201
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-(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-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclohexyl-3-ethoxyquinolin-2-one
CID 156729380
6-[[5-chloro-2-(2,6-diethylmorpholin-4-yl)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1-propan-2-ylquinolin-2-one
CID 167565077
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
6-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-(2-oxobutoxy)-1-propylquinolin-2-one
CID 167628929

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one?
The IUPAC name of 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one (CID 167603313) is 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one.
What is the SMILES notation for 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one?
The canonical SMILES for 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one is CCC(=O)COc1cc2cc(Nc3nc(N4CCCC(CC)C4)ncc3Cl)ccc2n(CC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCCC(CC)C4)ncc3Cl)ccc2n(CCC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](C)C4)ncc3Cl)ccc2n(CC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](CC)C4)ncc3Cl)ccc2n(CC2COC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](CC)C4)ncc3Cl)ccc2n(CCC2COC2)c1=O.
What is the InChIKey of 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one?
The InChIKey is KAMVLCUIEPVQEF-OIRBOTANSA-N. The full InChI is InChI=1S/2C29H36ClN5O4.2C28H34ClN5O4.C27H32ClN5O4/c2*1-3-19-6-5-10-34(15-19)29-31-14-24(30)27(33-29)32-22-7-8-25-21(12-22)13-26(39-18-23(36)4-2)28(37)35(25)11-9-20-16-38-17-20;2*1-3-18-6-5-9-33(13-18)28-30-12-23(29)26(32-28)31-21-7-8-24-20(10-21)11-25(38-17-22(35)4-2)27(36)34(24)14-19-15-37-16-19;1-3-21(34)16-37-24-10-19-9-20(6-7-23(19)33(26(24)35)13-18-14-36-15-18)30-25-22(28)11-29-27(31-25)32-8-4-5-17(2)12-32/h2*7-8,12-14,19-20H,3-6,9-11,15-18H2,1-2H3,(H,31,32,33);2*7-8,10-12,18-19H,3-6,9,13-17H2,1-2H3,(H,30,31,32);6-7,9-11,17-18H,3-5,8,12-16H2,1-2H3,(H,29,30,31)/t19-;;18-;;17-/m0.0.0/s1.
What are the key properties of 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one?
6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one has a molecular weight of 2714.35 g/mol, XLogP of 24.49, 51 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-[2-(oxetan-3-yl)ethyl]-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-(3-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-ethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one;6-[[5-chloro-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-(oxetan-3-ylmethyl)-3-(2-oxobutoxy)quinolin-2-one is sourced from PubChem (CID 167603313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).