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

C132H159Cl5N28O15 — CID 167560147

IUPAC6-[[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
SMILESCC.CCC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](C)C4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCN(C)CC4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCN(CC)CC4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCN(CC)CC4)ncc3Cl)ccc2n(CCC2CC2)c1=O
InChIInChI=1S/C28H35ClN6O3.C26H31ClN6O3.C26H30ClN5O3.C25H29ClN6O3.C25H28ClN5O3.C2H6/c1-3-22(36)18-38-25-16-20-15-21(7-8-24(20)35(27(25)37)10-9-19-5-6-19)31-26-23(29)17-30-28(32-26)34-13-11-33(4-2)12-14-34;1-3-20(34)16-36-23-14-17-13-18(5-8-22(17)33(25(23)35)19-6-7-19)29-24-21(27)15-28-26(30-24)32-11-9-31(4-2)10-12-32;1-3-20(33)15-35-23-12-17-11-18(6-9-22(17)32(25(23)34)19-7-8-19)29-24-21(27)13-28-26(30-24)31-10-4-5-16(2)14-31;1-3-19(33)15-35-22-13-16-12-17(4-7-21(16)32(24(22)34)18-5-6-18)28-23-20(26)14-27-25(29-23)31-10-8-30(2)9-11-31;1-2-19(32)15-34-22-13-16-12-17(6-9-21(16)31(24(22)33)18-7-8-18)28-23-20(26)14-27-25(29-23)30-10-4-3-5-11-30;1-2/h7-8,15-17,19H,3-6,9-14,18H2,1-2H3,(H,30,31,32);5,8,13-15,19H,3-4,6-7,9-12,16H2,1-2H3,(H,28,29,30);6,9,11-13,16,19H,3-5,7-8,10,14-15H2,1-2H3,(H,28,29,30);4,7,12-14,18H,3,5-6,8-11,15H2,1-2H3,(H,27,28,29);6,9,12-14,18H,2-5,7-8,10-11,15H2,1H3,(H,27,28,29);1-2H3/t;;16-;;;/m..0.../s1
InChIKeyDNVBZJOBIZSNEJ-GOWNRFCRSA-N
MW2555.17 g/mol
LogP23.16
Rot. Bonds44

About 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

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 (PubChem CID 167560147) has the molecular formula C132H159Cl5N28O15 and a molecular weight of 2555.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID167560147
Molecular FormulaC132H159Cl5N28O15
Molecular Weight2555.17 g/mol
Exact Mass2551.10
IUPAC Name6-[[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
SMILESCC.CCC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](C)C4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCN(C)CC4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCN(CC)CC4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCN(CC)CC4)ncc3Cl)ccc2n(CCC2CC2)c1=O
InChIInChI=1S/C28H35ClN6O3.C26H31ClN6O3.C26H30ClN5O3.C25H29ClN6O3.C25H28ClN5O3.C2H6/c1-3-22(36)18-38-25-16-20-15-21(7-8-24(20)35(27(25)37)10-9-19-5-6-19)31-26-23(29)17-30-28(32-26)34-13-11-33(4-2)12-14-34;1-3-20(34)16-36-23-14-17-13-18(5-8-22(17)33(25(23)35)19-6-7-19)29-24-21(27)15-28-26(30-24)32-11-9-31(4-2)10-12-32;1-3-20(33)15-35-23-12-17-11-18(6-9-22(17)32(25(23)34)19-7-8-19)29-24-21(27)13-28-26(30-24)31-10-4-5-16(2)14-31;1-3-19(33)15-35-22-13-16-12-17(4-7-21(16)32(24(22)34)18-5-6-18)28-23-20(26)14-27-25(29-23)31-10-8-30(2)9-11-31;1-2-19(32)15-34-22-13-16-12-17(6-9-21(16)31(24(22)33)18-7-8-18)28-23-20(26)14-27-25(29-23)30-10-4-3-5-11-30;1-2/h7-8,15-17,19H,3-6,9-14,18H2,1-2H3,(H,30,31,32);5,8,13-15,19H,3-4,6-7,9-12,16H2,1-2H3,(H,28,29,30);6,9,11-13,16,19H,3-5,7-8,10,14-15H2,1-2H3,(H,28,29,30);4,7,12-14,18H,3,5-6,8-11,15H2,1-2H3,(H,27,28,29);6,9,12-14,18H,2-5,7-8,10-11,15H2,1H3,(H,27,28,29);1-2H3/t;;16-;;;/m..0.../s1
InChIKeyDNVBZJOBIZSNEJ-GOWNRFCRSA-N
XLogP23.16
TPSA456.47 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds44
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002555.17
LogP ≤ 523.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-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
6-[[5-chloro-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one
CID 167582959
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]-3-(2-oxobutoxy)-1-pentylquinolin-2-one
CID 167613201
6-[[5-chloro-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclohexyl-3-ethoxyquinolin-2-one
CID 156729380
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-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-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-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-piperidin-1-ylpyrimidin-4-yl)amino]-1-[2-(dimethylamino)ethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane
CID 166077383
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CCC(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCC[C@H](C)C4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCN(C)CC4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCN(CC)CC4)ncc3Cl)ccc2n(C2CC2)c1=O.CCC(=O)COc1cc2cc(Nc3nc(N4CCN(CC)CC4)ncc3Cl)ccc2n(CCC2CC2)c1=O.
What is the InChIKey of 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?
The InChIKey is DNVBZJOBIZSNEJ-GOWNRFCRSA-N. The full InChI is InChI=1S/C28H35ClN6O3.C26H31ClN6O3.C26H30ClN5O3.C25H29ClN6O3.C25H28ClN5O3.C2H6/c1-3-22(36)18-38-25-16-20-15-21(7-8-24(20)35(27(25)37)10-9-19-5-6-19)31-26-23(29)17-30-28(32-26)34-13-11-33(4-2)12-14-34;1-3-20(34)16-36-23-14-17-13-18(5-8-22(17)33(25(23)35)19-6-7-19)29-24-21(27)15-28-26(30-24)32-11-9-31(4-2)10-12-32;1-3-20(33)15-35-23-12-17-11-18(6-9-22(17)32(25(23)34)19-7-8-19)29-24-21(27)13-28-26(30-24)31-10-4-5-16(2)14-31;1-3-19(33)15-35-22-13-16-12-17(4-7-21(16)32(24(22)34)18-5-6-18)28-23-20(26)14-27-25(29-23)31-10-8-30(2)9-11-31;1-2-19(32)15-34-22-13-16-12-17(6-9-21(16)31(24(22)33)18-7-8-18)28-23-20(26)14-27-25(29-23)30-10-4-3-5-11-30;1-2/h7-8,15-17,19H,3-6,9-14,18H2,1-2H3,(H,30,31,32);5,8,13-15,19H,3-4,6-7,9-12,16H2,1-2H3,(H,28,29,30);6,9,11-13,16,19H,3-5,7-8,10,14-15H2,1-2H3,(H,28,29,30);4,7,12-14,18H,3,5-6,8-11,15H2,1-2H3,(H,27,28,29);6,9,12-14,18H,2-5,7-8,10-11,15H2,1H3,(H,27,28,29);1-2H3/t;;16-;;;/m..0.../s1.
What are the key properties of 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?
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 has a molecular weight of 2555.17 g/mol, XLogP of 23.16, 44 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167560147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).