6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one

C216H232N24O35 — CID 161179320

IUPAC6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one
SMILESCc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(CCc2ccc4c(c2)N(C)C(=O)CO4)CC1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(CCc2ccc4c(c2)NC(=O)CO4)CC1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(Oc2ccc4c(c2)NC(=O)CC4)CC1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCC(Cc2ccc4c(c2)N(C)C(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCC(Cc2ccc4c(c2)NC(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC[C@@H](Oc2ccc4c(c2)N(C)C(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC[C@@H](Oc2ccc4c(c2)NC(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC[C@H](Oc2ccc4c(c2)N(C)C(=O)CO4)C1)O3
InChIInChI=1S/C29H33N3O4.2C28H31N3O4.2C27H29N3O4.2C26H27N3O5.C25H25N3O5/c1-19-3-7-23-24(30-19)8-10-27-29(23)36-22(17-34-27)16-32-13-11-20(12-14-32)4-5-21-6-9-26-25(15-21)31(2)28(33)18-35-26;1-18-5-7-22-23(29-18)8-10-26-28(22)35-21(16-33-26)15-31-11-3-4-20(14-31)12-19-6-9-25-24(13-19)30(2)27(32)17-34-25;1-18-2-6-22-23(29-18)7-9-26-28(22)35-21(16-33-26)15-31-12-10-19(11-13-31)3-4-20-5-8-25-24(14-20)30-27(32)17-34-25;1-17-2-6-22-23(28-17)7-8-25-27(22)34-21(16-32-25)15-30-12-10-19(11-13-30)33-20-5-3-18-4-9-26(31)29-24(18)14-20;1-17-4-6-21-22(28-17)7-9-25-27(21)34-20(15-32-25)14-30-10-2-3-19(13-30)11-18-5-8-24-23(12-18)29-26(31)16-33-24;2*1-16-3-5-20-21(27-16)6-8-24-26(20)34-19(14-31-24)13-29-10-9-18(12-29)33-17-4-7-23-22(11-17)28(2)25(30)15-32-23;1-15-2-4-19-20(26-15)5-7-23-25(19)33-18(13-30-23)12-28-9-8-17(11-28)32-16-3-6-22-21(10-16)27-24(29)14-31-22/h3,6-10,15,20,22H,4-5,11-14,16-18H2,1-2H3;5-10,13,20-21H,3-4,11-12,14-17H2,1-2H3;2,5-9,14,19,21H,3-4,10-13,15-17H2,1H3,(H,30,32);2-3,5-8,14,19,21H,4,9-13,15-16H2,1H3,(H,29,31);4-9,12,19-20H,2-3,10-11,13-16H2,1H3,(H,29,31);2*3-8,11,18-19H,9-10,12-15H2,1-2H3;2-7,10,17-18H,8-9,11-14H2,1H3,(H,27,29)/t22-;20?,21-;2*21-;19?,20-;18-,19+;18-,19-;17-,18+/m00000101/s1
InChIKeyUSFRKOAEZCLGFD-YINVKKAHSA-N
MW3724.36 g/mol
LogP30.36
Rot. Bonds34

About 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one

6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one (PubChem CID 161179320) has the molecular formula C216H232N24O35 and a molecular weight of 3724.36 g/mol. Its IUPAC name is 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one
PubChem CID161179320
Molecular FormulaC216H232N24O35
Molecular Weight3724.36 g/mol
Exact Mass3721.71
IUPAC Name6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one
SMILESCc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(CCc2ccc4c(c2)N(C)C(=O)CO4)CC1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(CCc2ccc4c(c2)NC(=O)CO4)CC1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(Oc2ccc4c(c2)NC(=O)CC4)CC1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCC(Cc2ccc4c(c2)N(C)C(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCC(Cc2ccc4c(c2)NC(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC[C@@H](Oc2ccc4c(c2)N(C)C(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC[C@@H](Oc2ccc4c(c2)NC(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC[C@H](Oc2ccc4c(c2)N(C)C(=O)CO4)C1)O3
InChIInChI=1S/C29H33N3O4.2C28H31N3O4.2C27H29N3O4.2C26H27N3O5.C25H25N3O5/c1-19-3-7-23-24(30-19)8-10-27-29(23)36-22(17-34-27)16-32-13-11-20(12-14-32)4-5-21-6-9-26-25(15-21)31(2)28(33)18-35-26;1-18-5-7-22-23(29-18)8-10-26-28(22)35-21(16-33-26)15-31-11-3-4-20(14-31)12-19-6-9-25-24(13-19)30(2)27(32)17-34-25;1-18-2-6-22-23(29-18)7-9-26-28(22)35-21(16-33-26)15-31-12-10-19(11-13-31)3-4-20-5-8-25-24(14-20)30-27(32)17-34-25;1-17-2-6-22-23(28-17)7-8-25-27(22)34-21(16-32-25)15-30-12-10-19(11-13-30)33-20-5-3-18-4-9-26(31)29-24(18)14-20;1-17-4-6-21-22(28-17)7-9-25-27(21)34-20(15-32-25)14-30-10-2-3-19(13-30)11-18-5-8-24-23(12-18)29-26(31)16-33-24;2*1-16-3-5-20-21(27-16)6-8-24-26(20)34-19(14-31-24)13-29-10-9-18(12-29)33-17-4-7-23-22(11-17)28(2)25(30)15-32-23;1-15-2-4-19-20(26-15)5-7-23-25(19)33-18(13-30-23)12-28-9-8-17(11-28)32-16-3-6-22-21(10-16)27-24(29)14-31-22/h3,6-10,15,20,22H,4-5,11-14,16-18H2,1-2H3;5-10,13,20-21H,3-4,11-12,14-17H2,1-2H3;2,5-9,14,19,21H,3-4,10-13,15-17H2,1H3,(H,30,32);2-3,5-8,14,19,21H,4,9-13,15-16H2,1H3,(H,29,31);4-9,12,19-20H,2-3,10-11,13-16H2,1H3,(H,29,31);2*3-8,11,18-19H,9-10,12-15H2,1-2H3;2-7,10,17-18H,8-9,11-14H2,1H3,(H,27,29)/t22-;20?,21-;2*21-;19?,20-;18-,19+;18-,19-;17-,18+/m00000101/s1
InChIKeyUSFRKOAEZCLGFD-YINVKKAHSA-N
XLogP30.36
TPSA575.89 Ų
H-Bond Donors4
H-Bond Acceptors51
Rotatable Bonds34
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003724.36
LogP ≤ 530.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1051

Analyze 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one (CID 161179320) is 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one is Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(CCc2ccc4c(c2)N(C)C(=O)CO4)CC1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(CCc2ccc4c(c2)NC(=O)CO4)CC1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCC(Oc2ccc4c(c2)NC(=O)CC4)CC1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCC(Cc2ccc4c(c2)N(C)C(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCCC(Cc2ccc4c(c2)NC(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC[C@@H](Oc2ccc4c(c2)N(C)C(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC[C@@H](Oc2ccc4c(c2)NC(=O)CO4)C1)O3.Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CC[C@H](Oc2ccc4c(c2)N(C)C(=O)CO4)C1)O3.
What is the InChIKey of 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one?
The InChIKey is USFRKOAEZCLGFD-YINVKKAHSA-N. The full InChI is InChI=1S/C29H33N3O4.2C28H31N3O4.2C27H29N3O4.2C26H27N3O5.C25H25N3O5/c1-19-3-7-23-24(30-19)8-10-27-29(23)36-22(17-34-27)16-32-13-11-20(12-14-32)4-5-21-6-9-26-25(15-21)31(2)28(33)18-35-26;1-18-5-7-22-23(29-18)8-10-26-28(22)35-21(16-33-26)15-31-11-3-4-20(14-31)12-19-6-9-25-24(13-19)30(2)27(32)17-34-25;1-18-2-6-22-23(29-18)7-9-26-28(22)35-21(16-33-26)15-31-12-10-19(11-13-31)3-4-20-5-8-25-24(14-20)30-27(32)17-34-25;1-17-2-6-22-23(28-17)7-8-25-27(22)34-21(16-32-25)15-30-12-10-19(11-13-30)33-20-5-3-18-4-9-26(31)29-24(18)14-20;1-17-4-6-21-22(28-17)7-9-25-27(21)34-20(15-32-25)14-30-10-2-3-19(13-30)11-18-5-8-24-23(12-18)29-26(31)16-33-24;2*1-16-3-5-20-21(27-16)6-8-24-26(20)34-19(14-31-24)13-29-10-9-18(12-29)33-17-4-7-23-22(11-17)28(2)25(30)15-32-23;1-15-2-4-19-20(26-15)5-7-23-25(19)33-18(13-30-23)12-28-9-8-17(11-28)32-16-3-6-22-21(10-16)27-24(29)14-31-22/h3,6-10,15,20,22H,4-5,11-14,16-18H2,1-2H3;5-10,13,20-21H,3-4,11-12,14-17H2,1-2H3;2,5-9,14,19,21H,3-4,10-13,15-17H2,1H3,(H,30,32);2-3,5-8,14,19,21H,4,9-13,15-16H2,1H3,(H,29,31);4-9,12,19-20H,2-3,10-11,13-16H2,1H3,(H,29,31);2*3-8,11,18-19H,9-10,12-15H2,1-2H3;2-7,10,17-18H,8-9,11-14H2,1H3,(H,27,29)/t22-;20?,21-;2*21-;19?,20-;18-,19+;18-,19-;17-,18+/m00000101/s1.
What are the key properties of 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one?
6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one has a molecular weight of 3724.36 g/mol, XLogP of 30.36, 34 rotatable bonds, 4 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one;6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-4H-1,4-benzoxazin-3-one;7-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one;6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-4H-1,4-benzoxazin-3-one;4-methyl-6-[2-[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-4-yl]ethyl]-1,4-benzoxazin-3-one;4-methyl-6-[[1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperidin-3-yl]methyl]-1,4-benzoxazin-3-one;4-methyl-6-[(3R)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one;4-methyl-6-[(3S)-1-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]pyrrolidin-3-yl]oxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 161179320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).