isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone

C24H26N4O3 — CID 58547774

IUPACisoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C(c1nccc2ccccc12)N1CCC(Oc2ncccc2N2CCOCC2)CC1
InChIInChI=1S/C24H26N4O3/c29-24(22-20-5-2-1-4-18(20)7-11-25-22)28-12-8-19(9-13-28)31-23-21(6-3-10-26-23)27-14-16-30-17-15-27/h1-7,10-11,19H,8-9,12-17H2
InChIKeyYTZOXHPEIXBJCJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.15
Rot. Bonds4

About isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone

isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 58547774) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameisoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID58547774
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Nameisoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C(c1nccc2ccccc12)N1CCC(Oc2ncccc2N2CCOCC2)CC1
InChIInChI=1S/C24H26N4O3/c29-24(22-20-5-2-1-4-18(20)7-11-25-22)28-12-8-19(9-13-28)31-23-21(6-3-10-26-23)27-14-16-30-17-15-27/h1-7,10-11,19H,8-9,12-17H2
InChIKeyYTZOXHPEIXBJCJ-UHFFFAOYSA-N
XLogP3.15
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone (CID 58547774) is isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone is O=C(c1nccc2ccccc12)N1CCC(Oc2ncccc2N2CCOCC2)CC1.
What is the InChIKey of isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is YTZOXHPEIXBJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-24(22-20-5-2-1-4-18(20)7-11-25-22)28-12-8-19(9-13-28)31-23-21(6-3-10-26-23)27-14-16-30-17-15-27/h1-7,10-11,19H,8-9,12-17H2.
What are the key properties of isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-yl-[4-[(3-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 58547774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).