5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide

C169H220N20O22 — CID 158338766

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide
SMILESCN(CC(O)CN1CCc2ccccc2C1)C(=O)c1cccc(CC2CCOCC2)c1.COCCNc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.COc1ccc(CC2CCOCC2)cc1C(=O)NCC(O)CN1CCc2ccccc2C1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)n1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(CC2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cncc(CC2CCOCC2)n1.O=C(NCC(O)CN1CCc2ccccc2C1)c1nccc(CC2CCOCC2)n1
InChIInChI=1S/C26H34N2O4.C26H34N2O3.2C24H31N3O3.2C23H30N4O3.C23H30N2O3/c1-31-25-7-6-20(14-19-9-12-32-13-10-19)15-24(25)26(30)27-16-23(29)18-28-11-8-21-4-2-3-5-22(21)17-28;1-27(18-25(29)19-28-12-9-22-6-2-3-7-24(22)17-28)26(30)23-8-4-5-21(16-23)15-20-10-13-31-14-11-20;28-22(17-27-11-8-19-4-1-2-5-20(19)16-27)15-25-24(29)23-7-3-6-21(26-23)14-18-9-12-30-13-10-18;28-23(17-27-10-6-19-3-1-2-4-21(19)16-27)15-26-24(29)20-5-9-25-22(14-20)13-18-7-11-30-12-8-18;28-21(16-27-10-6-18-3-1-2-4-19(18)15-27)14-25-23(29)22-24-9-5-20(26-22)13-17-7-11-30-12-8-17;28-21(16-27-8-5-18-3-1-2-4-19(18)15-27)13-25-23(29)22-14-24-12-20(26-22)11-17-6-9-30-10-7-17;1-28-14-12-24-21-8-4-7-19(15-21)23(27)10-9-22(26)17-25-13-11-18-5-2-3-6-20(18)16-25/h2-7,15,19,23,29H,8-14,16-18H2,1H3,(H,27,30);2-8,16,20,25,29H,9-15,17-19H2,1H3;1-7,18,22,28H,8-17H2,(H,25,29);1-5,9,14,18,23,28H,6-8,10-13,15-17H2,(H,26,29);1-5,9,17,21,28H,6-8,10-16H2,(H,25,29);1-4,12,14,17,21,28H,5-11,13,15-16H2,(H,25,29);2-8,15,22,24,26H,9-14,16-17H2,1H3
InChIKeyGQXHTPHYYKQTAQ-UHFFFAOYSA-N
MW2883.74 g/mol
LogP16.68
Rot. Bonds53

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide

5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide (PubChem CID 158338766) has the molecular formula C169H220N20O22 and a molecular weight of 2883.74 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide
PubChem CID158338766
Molecular FormulaC169H220N20O22
Molecular Weight2883.74 g/mol
Exact Mass2881.67
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide
SMILESCN(CC(O)CN1CCc2ccccc2C1)C(=O)c1cccc(CC2CCOCC2)c1.COCCNc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.COc1ccc(CC2CCOCC2)cc1C(=O)NCC(O)CN1CCc2ccccc2C1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)n1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(CC2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cncc(CC2CCOCC2)n1.O=C(NCC(O)CN1CCc2ccccc2C1)c1nccc(CC2CCOCC2)n1
InChIInChI=1S/C26H34N2O4.C26H34N2O3.2C24H31N3O3.2C23H30N4O3.C23H30N2O3/c1-31-25-7-6-20(14-19-9-12-32-13-10-19)15-24(25)26(30)27-16-23(29)18-28-11-8-21-4-2-3-5-22(21)17-28;1-27(18-25(29)19-28-12-9-22-6-2-3-7-24(22)17-28)26(30)23-8-4-5-21(16-23)15-20-10-13-31-14-11-20;28-22(17-27-11-8-19-4-1-2-5-20(19)16-27)15-25-24(29)23-7-3-6-21(26-23)14-18-9-12-30-13-10-18;28-23(17-27-10-6-19-3-1-2-4-21(19)16-27)15-26-24(29)20-5-9-25-22(14-20)13-18-7-11-30-12-8-18;28-21(16-27-10-6-18-3-1-2-4-19(18)15-27)14-25-23(29)22-24-9-5-20(26-22)13-17-7-11-30-12-8-17;28-21(16-27-8-5-18-3-1-2-4-19(18)15-27)13-25-23(29)22-14-24-12-20(26-22)11-17-6-9-30-10-7-17;1-28-14-12-24-21-8-4-7-19(15-21)23(27)10-9-22(26)17-25-13-11-18-5-2-3-6-20(18)16-25/h2-7,15,19,23,29H,8-14,16-18H2,1H3,(H,27,30);2-8,16,20,25,29H,9-15,17-19H2,1H3;1-7,18,22,28H,8-17H2,(H,25,29);1-5,9,14,18,23,28H,6-8,10-13,15-17H2,(H,26,29);1-5,9,17,21,28H,6-8,10-16H2,(H,25,29);1-4,12,14,17,21,28H,5-11,13,15-16H2,(H,25,29);2-8,15,22,24,26H,9-14,16-17H2,1H3
InChIKeyGQXHTPHYYKQTAQ-UHFFFAOYSA-N
XLogP16.68
TPSA510.38 Ų
H-Bond Donors13
H-Bond Acceptors36
Rotatable Bonds53
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002883.74
LogP ≤ 516.68
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide (CID 158338766) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide is CN(CC(O)CN1CCc2ccccc2C1)C(=O)c1cccc(CC2CCOCC2)c1.COCCNc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.COc1ccc(CC2CCOCC2)cc1C(=O)NCC(O)CN1CCc2ccccc2C1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)n1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccnc(CC2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cncc(CC2CCOCC2)n1.O=C(NCC(O)CN1CCc2ccccc2C1)c1nccc(CC2CCOCC2)n1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide?
The InChIKey is GQXHTPHYYKQTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4.C26H34N2O3.2C24H31N3O3.2C23H30N4O3.C23H30N2O3/c1-31-25-7-6-20(14-19-9-12-32-13-10-19)15-24(25)26(30)27-16-23(29)18-28-11-8-21-4-2-3-5-22(21)17-28;1-27(18-25(29)19-28-12-9-22-6-2-3-7-24(22)17-28)26(30)23-8-4-5-21(16-23)15-20-10-13-31-14-11-20;28-22(17-27-11-8-19-4-1-2-5-20(19)16-27)15-25-24(29)23-7-3-6-21(26-23)14-18-9-12-30-13-10-18;28-23(17-27-10-6-19-3-1-2-4-21(19)16-27)15-26-24(29)20-5-9-25-22(14-20)13-18-7-11-30-12-8-18;28-21(16-27-10-6-18-3-1-2-4-19(18)15-27)14-25-23(29)22-24-9-5-20(26-22)13-17-7-11-30-12-8-17;28-21(16-27-8-5-18-3-1-2-4-19(18)15-27)13-25-23(29)22-14-24-12-20(26-22)11-17-6-9-30-10-7-17;1-28-14-12-24-21-8-4-7-19(15-21)23(27)10-9-22(26)17-25-13-11-18-5-2-3-6-20(18)16-25/h2-7,15,19,23,29H,8-14,16-18H2,1H3,(H,27,30);2-8,16,20,25,29H,9-15,17-19H2,1H3;1-7,18,22,28H,8-17H2,(H,25,29);1-5,9,14,18,23,28H,6-8,10-13,15-17H2,(H,26,29);1-5,9,17,21,28H,6-8,10-16H2,(H,25,29);1-4,12,14,17,21,28H,5-11,13,15-16H2,(H,25,29);2-8,15,22,24,26H,9-14,16-17H2,1H3.
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide has a molecular weight of 2883.74 g/mol, XLogP of 16.68, 53 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(2-methoxyethylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methoxy-5-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(oxan-4-ylmethyl)pyridine-4-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-ylmethyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 158338766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).