N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide

C179H210N24O19 — CID 157284286

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide (PubChem CID 157284286) has the molecular formula C179H210N24O19 and a molecular weight of 3001.80 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide
• PubChem CID: 157284286
• Molecular Formula: C179H210N24O19
• Molecular Weight: 3001.80 g/mol
• Exact Mass: 2999.62
• IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide
• SMILES: O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(-c2ccccn2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(-c2ccn[nH]2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CNC2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(N2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccccc1-c1ccccn1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccccn1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccnc1
• InChI: InChI=1S/C25H33N3O3.C25H32N2O3.2C24H25N3O2.C23H29N3O3.C22H24N4O2.2C18H21N3O2/c29-24(18-28-11-8-20-5-1-2-6-22(20)17-28)16-27-25(30)21-7-3-4-19(14-21)15-26-23-9-12-31-13-10-23;28-24(18-27-11-8-21-5-1-2-6-23(21)17-27)16-26-25(29)22-7-3-4-20(15-22)14-19-9-12-30-13-10-19;28-20(17-27-14-12-18-7-1-2-8-19(18)16-27)15-26-24(29)22-10-4-3-9-21(22)23-11-5-6-13-25-23;28-22(17-27-14-12-18-5-1-2-6-21(18)16-27)15-26-24(29)20-10-8-19(9-11-20)23-7-3-4-13-25-23;27-22(17-25-9-8-18-4-1-2-5-20(18)16-25)15-24-23(28)19-6-3-7-21(14-19)26-10-12-29-13-11-26;27-20(15-26-11-9-16-4-1-2-5-19(16)14-26)13-23-22(28)18-7-3-6-17(12-18)21-8-10-24-25-21;22-16(11-20-18(23)17-7-3-4-9-19-17)13-21-10-8-14-5-1-2-6-15(14)12-21;22-17(11-20-18(23)15-6-3-8-19-10-15)13-21-9-7-14-4-1-2-5-16(14)12-21/h1-7,14,23-24,26,29H,8-13,15-18H2,(H,27,30);1-7,15,19,24,28H,8-14,16-18H2,(H,26,29);1-11,13,20,28H,12,14-17H2,(H,26,29);1-11,13,22,28H,12,14-17H2,(H,26,29);1-7,14,22,27H,8-13,15-17H2,(H,24,28);1-8,10,12,20,27H,9,11,13-15H2,(H,23,28)(H,24,25);1-7,9,16,22H,8,10-13H2,(H,20,23);1-6,8,10,17,22H,7,9,11-13H2,(H,20,23)
• InChIKey: BAAQCJJLCKWTCW-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 543.76 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 34
• Rotatable Bonds: 49
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3001.80
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide?

The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide (CID 157284286) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide.

What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide?

The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide is O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(-c2ccccn2)cc1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(-c2ccn[nH]2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CC2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CNC2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(N2CCOCC2)c1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccccc1-c1ccccn1.O=C(NCC(O)CN1CCc2ccccc2C1)c1ccccn1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccnc1.

What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide?

The InChIKey is BAAQCJJLCKWTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3.C25H32N2O3.2C24H25N3O2.C23H29N3O3.C22H24N4O2.2C18H21N3O2/c29-24(18-28-11-8-20-5-1-2-6-22(20)17-28)16-27-25(30)21-7-3-4-19(14-21)15-26-23-9-12-31-13-10-23;28-24(18-27-11-8-21-5-1-2-6-23(21)17-27)16-26-25(29)22-7-3-4-20(15-22)14-19-9-12-30-13-10-19;28-20(17-27-14-12-18-7-1-2-8-19(18)16-27)15-26-24(29)22-10-4-3-9-21(22)23-11-5-6-13-25-23;28-22(17-27-14-12-18-5-1-2-6-21(18)16-27)15-26-24(29)20-10-8-19(9-11-20)23-7-3-4-13-25-23;27-22(17-25-9-8-18-4-1-2-5-20(18)16-25)15-24-23(28)19-6-3-7-21(14-19)26-10-12-29-13-11-26;27-20(15-26-11-9-16-4-1-2-5-19(16)14-26)13-23-22(28)18-7-3-6-17(12-18)21-8-10-24-25-21;22-16(11-20-18(23)17-7-3-4-9-19-17)13-21-10-8-14-5-1-2-6-15(14)12-21;22-17(11-20-18(23)15-6-3-8-19-10-15)13-21-9-7-14-4-1-2-5-16(14)12-21/h1-7,14,23-24,26,29H,8-13,15-18H2,(H,27,30);1-7,15,19,24,28H,8-14,16-18H2,(H,26,29);1-11,13,20,28H,12,14-17H2,(H,26,29);1-11,13,22,28H,12,14-17H2,(H,26,29);1-7,14,22,27H,8-13,15-17H2,(H,24,28);1-8,10,12,20,27H,9,11,13-15H2,(H,23,28)(H,24,25);1-7,9,16,22H,8,10-13H2,(H,20,23);1-6,8,10,17,22H,7,9,11-13H2,(H,20,23).

What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide?

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide has a molecular weight of 3001.80 g/mol, XLogP of 17.06, 49 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-morpholin-4-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(oxan-4-ylamino)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1H-pyrazol-5-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-2-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 157284286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).