1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide

C177H225N19O26 — CID 158565197

IUPAC1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide
SMILESCC(=O)N1CCN(c2ccccc2OCC(=O)CCC(O)CN2CCc3ccccc3C2)CC1.CN(C)CCOc1ccccc1OCC(=O)CC[C@@H](O)CN1CCc2ccccc2C1.CN(C)CCOc1ccccc1OCC(=O)CC[C@H](O)CN1CCc2ccccc2C1.O=C(CCC(O)CN1CCc2ccccc2C1)COc1cccc(NC2CCOCC2)c1.O=C(CC[C@H](O)CN1CCc2ccccc2C1)COc1c(CN2CCOCC2)ccc2cccnc12.O=C(COc1cccc2c1CCNC2)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2nccnc12)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C29H35N3O4.C27H35N3O4.C26H34N2O4.2C25H34N2O4.C23H29N3O3.C22H24N4O3/c33-26(20-32-13-11-22-4-1-2-5-24(22)18-32)9-10-27(34)21-36-29-25(19-31-14-16-35-17-15-31)8-7-23-6-3-12-30-28(23)29;1-21(31)29-14-16-30(17-15-29)26-8-4-5-9-27(26)34-20-25(33)11-10-24(32)19-28-13-12-22-6-2-3-7-23(22)18-28;29-24(18-28-13-10-20-4-1-2-5-21(20)17-28)8-9-25(30)19-32-26-7-3-6-23(16-26)27-22-11-14-31-15-12-22;2*1-26(2)15-16-30-24-9-5-6-10-25(24)31-19-23(29)12-11-22(28)18-27-14-13-20-7-3-4-8-21(20)17-27;27-20(15-26-11-9-17-4-1-2-5-19(17)14-26)13-25-23(28)16-29-22-7-3-6-18-12-24-10-8-21(18)22;27-18(14-26-11-8-16-4-1-2-5-17(16)13-26)12-25-21(28)15-29-20-7-3-6-19-22(20)24-10-9-23-19/h1-8,12,26,33H,9-11,13-21H2;2-9,24,32H,10-20H2,1H3;1-7,16,22,24,27,29H,8-15,17-19H2;2*3-10,22,28H,11-19H2,1-2H3;1-7,20,24,27H,8-16H2,(H,25,28);1-7,9-10,18,27H,8,11-15H2,(H,25,28)/t26-;;;2*22-;;/m0..10../s1
InChIKeyHRJQFYNYWCVZNF-QXORVNMNSA-N
MW3034.85 g/mol
LogP17.48
Rot. Bonds67

About 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide

1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide (PubChem CID 158565197) has the molecular formula C177H225N19O26 and a molecular weight of 3034.85 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide
PubChem CID158565197
Molecular FormulaC177H225N19O26
Molecular Weight3034.85 g/mol
Exact Mass3032.69
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide
SMILESCC(=O)N1CCN(c2ccccc2OCC(=O)CCC(O)CN2CCc3ccccc3C2)CC1.CN(C)CCOc1ccccc1OCC(=O)CC[C@@H](O)CN1CCc2ccccc2C1.CN(C)CCOc1ccccc1OCC(=O)CC[C@H](O)CN1CCc2ccccc2C1.O=C(CCC(O)CN1CCc2ccccc2C1)COc1cccc(NC2CCOCC2)c1.O=C(CC[C@H](O)CN1CCc2ccccc2C1)COc1c(CN2CCOCC2)ccc2cccnc12.O=C(COc1cccc2c1CCNC2)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2nccnc12)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C29H35N3O4.C27H35N3O4.C26H34N2O4.2C25H34N2O4.C23H29N3O3.C22H24N4O3/c33-26(20-32-13-11-22-4-1-2-5-24(22)18-32)9-10-27(34)21-36-29-25(19-31-14-16-35-17-15-31)8-7-23-6-3-12-30-28(23)29;1-21(31)29-14-16-30(17-15-29)26-8-4-5-9-27(26)34-20-25(33)11-10-24(32)19-28-13-12-22-6-2-3-7-23(22)18-28;29-24(18-28-13-10-20-4-1-2-5-21(20)17-28)8-9-25(30)19-32-26-7-3-6-23(16-26)27-22-11-14-31-15-12-22;2*1-26(2)15-16-30-24-9-5-6-10-25(24)31-19-23(29)12-11-22(28)18-27-14-13-20-7-3-4-8-21(20)17-27;27-20(15-26-11-9-17-4-1-2-5-19(17)14-26)13-25-23(28)16-29-22-7-3-6-18-12-24-10-8-21(18)22;27-18(14-26-11-8-16-4-1-2-5-17(16)13-26)12-25-21(28)15-29-20-7-3-6-19-22(20)24-10-9-23-19/h1-8,12,26,33H,9-11,13-21H2;2-9,24,32H,10-20H2,1H3;1-7,16,22,24,27,29H,8-15,17-19H2;2*3-10,22,28H,11-19H2,1-2H3;1-7,20,24,27H,8-16H2,(H,25,28);1-7,9-10,18,27H,8,11-15H2,(H,25,28)/t26-;;;2*22-;;/m0..10../s1
InChIKeyHRJQFYNYWCVZNF-QXORVNMNSA-N
XLogP17.48
TPSA505.37 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds67
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003034.85
LogP ≤ 517.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Analyze 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide (CID 158565197) is 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide is CC(=O)N1CCN(c2ccccc2OCC(=O)CCC(O)CN2CCc3ccccc3C2)CC1.CN(C)CCOc1ccccc1OCC(=O)CC[C@@H](O)CN1CCc2ccccc2C1.CN(C)CCOc1ccccc1OCC(=O)CC[C@H](O)CN1CCc2ccccc2C1.O=C(CCC(O)CN1CCc2ccccc2C1)COc1cccc(NC2CCOCC2)c1.O=C(CC[C@H](O)CN1CCc2ccccc2C1)COc1c(CN2CCOCC2)ccc2cccnc12.O=C(COc1cccc2c1CCNC2)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2nccnc12)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide?
The InChIKey is HRJQFYNYWCVZNF-QXORVNMNSA-N. The full InChI is InChI=1S/C29H35N3O4.C27H35N3O4.C26H34N2O4.2C25H34N2O4.C23H29N3O3.C22H24N4O3/c33-26(20-32-13-11-22-4-1-2-5-24(22)18-32)9-10-27(34)21-36-29-25(19-31-14-16-35-17-15-31)8-7-23-6-3-12-30-28(23)29;1-21(31)29-14-16-30(17-15-29)26-8-4-5-9-27(26)34-20-25(33)11-10-24(32)19-28-13-12-22-6-2-3-7-23(22)18-28;29-24(18-28-13-10-20-4-1-2-5-21(20)17-28)8-9-25(30)19-32-26-7-3-6-23(16-26)27-22-11-14-31-15-12-22;2*1-26(2)15-16-30-24-9-5-6-10-25(24)31-19-23(29)12-11-22(28)18-27-14-13-20-7-3-4-8-21(20)17-27;27-20(15-26-11-9-17-4-1-2-5-19(17)14-26)13-25-23(28)16-29-22-7-3-6-18-12-24-10-8-21(18)22;27-18(14-26-11-8-16-4-1-2-5-17(16)13-26)12-25-21(28)15-29-20-7-3-6-19-22(20)24-10-9-23-19/h1-8,12,26,33H,9-11,13-21H2;2-9,24,32H,10-20H2,1H3;1-7,16,22,24,27,29H,8-15,17-19H2;2*3-10,22,28H,11-19H2,1-2H3;1-7,20,24,27H,8-16H2,(H,25,28);1-7,9-10,18,27H,8,11-15H2,(H,25,28)/t26-;;;2*22-;;/m0..10../s1.
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide?
1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide has a molecular weight of 3034.85 g/mol, XLogP of 17.48, 67 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide is sourced from PubChem (CID 158565197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).