(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol

C33H36N4O3 — CID 44535667

IUPAC(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5cccc(OCc6ccccc6)c5[nH]4)CC3)c2c1
InChIInChI=1S/C33H36N4O3/c1-39-27-10-11-30-29(19-27)28(12-15-34-30)31(38)21-37-16-13-25(14-17-37)35-20-26-18-24-8-5-9-32(33(24)36-26)40-22-23-6-3-2-4-7-23/h2-12,15,18-19,25,31,35-36,38H,13-14,16-17,20-22H2,1H3/t31-/m0/s1
InChIKeyCKGLAZIGHBFHGP-HKBQPEDESA-N
MW536.68 g/mol
LogP5.59
Rot. Bonds10

About (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol

(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol (PubChem CID 44535667) has the molecular formula C33H36N4O3 and a molecular weight of 536.68 g/mol. Its IUPAC name is (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol
PubChem CID44535667
Molecular FormulaC33H36N4O3
Molecular Weight536.68 g/mol
Exact Mass536.28
IUPAC Name(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5cccc(OCc6ccccc6)c5[nH]4)CC3)c2c1
InChIInChI=1S/C33H36N4O3/c1-39-27-10-11-30-29(19-27)28(12-15-34-30)31(38)21-37-16-13-25(14-17-37)35-20-26-18-24-8-5-9-32(33(24)36-26)40-22-23-6-3-2-4-7-23/h2-12,15,18-19,25,31,35-36,38H,13-14,16-17,20-22H2,1H3/t31-/m0/s1
InChIKeyCKGLAZIGHBFHGP-HKBQPEDESA-N
XLogP5.59
TPSA82.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol (CID 44535667) is (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol is COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5cccc(OCc6ccccc6)c5[nH]4)CC3)c2c1.
What is the InChIKey of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol?
The InChIKey is CKGLAZIGHBFHGP-HKBQPEDESA-N. The full InChI is InChI=1S/C33H36N4O3/c1-39-27-10-11-30-29(19-27)28(12-15-34-30)31(38)21-37-16-13-25(14-17-37)35-20-26-18-24-8-5-9-32(33(24)36-26)40-22-23-6-3-2-4-7-23/h2-12,15,18-19,25,31,35-36,38H,13-14,16-17,20-22H2,1H3/t31-/m0/s1.
What are the key properties of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol?
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol has a molecular weight of 536.68 g/mol, XLogP of 5.59, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol is sourced from PubChem (CID 44535667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).