1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol

C163H233N21O16 — CID 159285023

IUPAC1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol
SMILESCC(=O)N1CCC(Cc2cc(CNCC(O)CN3CCc4ccccc4C3)ccn2)CC1.CC(=O)N1CCC(Cc2cc(CNCC(O)CN3CCc4ccccc4C3)ncn2)CC1.CC(C)N1CC(Cc2cc(CNCC(O)CN3CCc4ccccc4C3)ncn2)C1.CN1CCC(OCC(O)CN2CCc3ccccc3C2)C1.OC(COC1CCCCCC1)CN1CCc2ccccc2C1.OC(COC1CCNC1)CN1CCc2ccccc2C1.OC(COC1CCOCC1)CN1CCc2ccccc2C1.OC(COCc1ccccc1)CN1CCc2ccccc2C1
InChIInChI=1S/C26H36N4O2.C25H35N5O2.C24H35N5O.C19H23NO2.C19H29NO2.C17H26N2O2.C17H25NO3.C16H24N2O2/c1-20(31)30-12-7-21(8-13-30)14-25-15-22(6-10-28-25)16-27-17-26(32)19-29-11-9-23-4-2-3-5-24(23)18-29;1-19(31)30-10-6-20(7-11-30)12-23-13-24(28-18-27-23)14-26-15-25(32)17-29-9-8-21-4-2-3-5-22(21)16-29;1-18(2)29-13-19(14-29)9-22-10-23(27-17-26-22)11-25-12-24(30)16-28-8-7-20-5-3-4-6-21(20)15-28;21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20;21-18(15-22-19-9-3-1-2-4-10-19)14-20-12-11-16-7-5-6-8-17(16)13-20;1-18-8-7-17(12-18)21-13-16(20)11-19-9-6-14-4-2-3-5-15(14)10-19;19-16(13-21-17-6-9-20-10-7-17)12-18-8-5-14-3-1-2-4-15(14)11-18;19-15(12-20-16-5-7-17-9-16)11-18-8-6-13-3-1-2-4-14(13)10-18/h2-6,10,15,21,26-27,32H,7-9,11-14,16-19H2,1H3;2-5,13,18,20,25-26,32H,6-12,14-17H2,1H3;3-6,10,17-19,24-25,30H,7-9,11-16H2,1-2H3;1-9,19,21H,10-15H2;5-8,18-19,21H,1-4,9-15H2;2-5,16-17,20H,6-13H2,1H3;1-4,16-17,19H,5-13H2;1-4,15-17,19H,5-12H2
InChIKeyKZKCOFDGLVIVBJ-UHFFFAOYSA-N
MW2742.79 g/mol
LogP15.32
Rot. Bonds51

About 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol

1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol (PubChem CID 159285023) has the molecular formula C163H233N21O16 and a molecular weight of 2742.79 g/mol. Its IUPAC name is 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol.

Molecular Properties

Compound Name1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol
PubChem CID159285023
Molecular FormulaC163H233N21O16
Molecular Weight2742.79 g/mol
Exact Mass2740.81
IUPAC Name1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol
SMILESCC(=O)N1CCC(Cc2cc(CNCC(O)CN3CCc4ccccc4C3)ccn2)CC1.CC(=O)N1CCC(Cc2cc(CNCC(O)CN3CCc4ccccc4C3)ncn2)CC1.CC(C)N1CC(Cc2cc(CNCC(O)CN3CCc4ccccc4C3)ncn2)C1.CN1CCC(OCC(O)CN2CCc3ccccc3C2)C1.OC(COC1CCCCCC1)CN1CCc2ccccc2C1.OC(COC1CCNC1)CN1CCc2ccccc2C1.OC(COC1CCOCC1)CN1CCc2ccccc2C1.OC(COCc1ccccc1)CN1CCc2ccccc2C1
InChIInChI=1S/C26H36N4O2.C25H35N5O2.C24H35N5O.C19H23NO2.C19H29NO2.C17H26N2O2.C17H25NO3.C16H24N2O2/c1-20(31)30-12-7-21(8-13-30)14-25-15-22(6-10-28-25)16-27-17-26(32)19-29-11-9-23-4-2-3-5-24(23)18-29;1-19(31)30-10-6-20(7-11-30)12-23-13-24(28-18-27-23)14-26-15-25(32)17-29-9-8-21-4-2-3-5-22(21)16-29;1-18(2)29-13-19(14-29)9-22-10-23(27-17-26-22)11-25-12-24(30)16-28-8-7-20-5-3-4-6-21(20)15-28;21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20;21-18(15-22-19-9-3-1-2-4-10-19)14-20-12-11-16-7-5-6-8-17(16)13-20;1-18-8-7-17(12-18)21-13-16(20)11-19-9-6-14-4-2-3-5-15(14)10-19;19-16(13-21-17-6-9-20-10-7-17)12-18-8-5-14-3-1-2-4-15(14)11-18;19-15(12-20-16-5-7-17-9-16)11-18-8-6-13-3-1-2-4-14(13)10-18/h2-6,10,15,21,26-27,32H,7-9,11-14,16-19H2,1H3;2-5,13,18,20,25-26,32H,6-12,14-17H2,1H3;3-6,10,17-19,24-25,30H,7-9,11-16H2,1-2H3;1-9,19,21H,10-15H2;5-8,18-19,21H,1-4,9-15H2;2-5,16-17,20H,6-13H2,1H3;1-4,16-17,19H,5-13H2;1-4,15-17,19H,5-12H2
InChIKeyKZKCOFDGLVIVBJ-UHFFFAOYSA-N
XLogP15.32
TPSA402.81 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds51
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002742.79
LogP ≤ 515.32
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol?
The IUPAC name of 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol (CID 159285023) is 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol.
What is the SMILES notation for 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol?
The canonical SMILES for 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol is CC(=O)N1CCC(Cc2cc(CNCC(O)CN3CCc4ccccc4C3)ccn2)CC1.CC(=O)N1CCC(Cc2cc(CNCC(O)CN3CCc4ccccc4C3)ncn2)CC1.CC(C)N1CC(Cc2cc(CNCC(O)CN3CCc4ccccc4C3)ncn2)C1.CN1CCC(OCC(O)CN2CCc3ccccc3C2)C1.OC(COC1CCCCCC1)CN1CCc2ccccc2C1.OC(COC1CCNC1)CN1CCc2ccccc2C1.OC(COC1CCOCC1)CN1CCc2ccccc2C1.OC(COCc1ccccc1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol?
The InChIKey is KZKCOFDGLVIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2.C25H35N5O2.C24H35N5O.C19H23NO2.C19H29NO2.C17H26N2O2.C17H25NO3.C16H24N2O2/c1-20(31)30-12-7-21(8-13-30)14-25-15-22(6-10-28-25)16-27-17-26(32)19-29-11-9-23-4-2-3-5-24(23)18-29;1-19(31)30-10-6-20(7-11-30)12-23-13-24(28-18-27-23)14-26-15-25(32)17-29-9-8-21-4-2-3-5-22(21)16-29;1-18(2)29-13-19(14-29)9-22-10-23(27-17-26-22)11-25-12-24(30)16-28-8-7-20-5-3-4-6-21(20)15-28;21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20;21-18(15-22-19-9-3-1-2-4-10-19)14-20-12-11-16-7-5-6-8-17(16)13-20;1-18-8-7-17(12-18)21-13-16(20)11-19-9-6-14-4-2-3-5-15(14)10-19;19-16(13-21-17-6-9-20-10-7-17)12-18-8-5-14-3-1-2-4-15(14)11-18;19-15(12-20-16-5-7-17-9-16)11-18-8-6-13-3-1-2-4-14(13)10-18/h2-6,10,15,21,26-27,32H,7-9,11-14,16-19H2,1H3;2-5,13,18,20,25-26,32H,6-12,14-17H2,1H3;3-6,10,17-19,24-25,30H,7-9,11-16H2,1-2H3;1-9,19,21H,10-15H2;5-8,18-19,21H,1-4,9-15H2;2-5,16-17,20H,6-13H2,1H3;1-4,16-17,19H,5-13H2;1-4,15-17,19H,5-12H2.
What are the key properties of 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol?
1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol has a molecular weight of 2742.79 g/mol, XLogP of 15.32, 51 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[4-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]-2-pyridinyl]methyl]piperidin-1-yl]ethanone;1-[4-[[6-[[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]methyl]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylmethoxypropan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-[(1-propan-2-ylazetidin-3-yl)methyl]pyrimidin-4-yl]methylamino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-3-yloxypropan-2-ol is sourced from PubChem (CID 159285023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).