4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine

C21H24N4O2 — CID 126489008

IUPAC4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine
SMILESc1cc(-c2nccc3c(C4CCOCC4)cc(N4CCOCC4)cc23)[nH]n1
InChIInChI=1S/C21H24N4O2/c1-5-22-21(20-2-6-23-24-20)19-14-16(25-7-11-27-12-8-25)13-18(17(1)19)15-3-9-26-10-4-15/h1-2,5-6,13-15H,3-4,7-12H2,(H,23,24)
InChIKeyFXMKLFZJOKXUKO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.36
Rot. Bonds3

About 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine

4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine (PubChem CID 126489008) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine
PubChem CID126489008
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine
SMILESc1cc(-c2nccc3c(C4CCOCC4)cc(N4CCOCC4)cc23)[nH]n1
InChIInChI=1S/C21H24N4O2/c1-5-22-21(20-2-6-23-24-20)19-14-16(25-7-11-27-12-8-25)13-18(17(1)19)15-3-9-26-10-4-15/h1-2,5-6,13-15H,3-4,7-12H2,(H,23,24)
InChIKeyFXMKLFZJOKXUKO-UHFFFAOYSA-N
XLogP3.36
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine?
The IUPAC name of 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine (CID 126489008) is 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine?
The canonical SMILES for 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine is c1cc(-c2nccc3c(C4CCOCC4)cc(N4CCOCC4)cc23)[nH]n1.
What is the InChIKey of 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine?
The InChIKey is FXMKLFZJOKXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-22-21(20-2-6-23-24-20)19-14-16(25-7-11-27-12-8-25)13-18(17(1)19)15-3-9-26-10-4-15/h1-2,5-6,13-15H,3-4,7-12H2,(H,23,24).
What are the key properties of 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine?
4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine has a molecular weight of 364.45 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(oxan-4-yl)-1-(1H-pyrazol-5-yl)isoquinolin-7-yl]morpholine is sourced from PubChem (CID 126489008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).