isoquinoline;morpholine

C13H16N2O — CID 161062345

IUPACisoquinoline;morpholine
SMILESC1COCCN1.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C4H9NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-6-4-2-5-1/h1-7H;5H,1-4H2
InChIKeyUDOGDVKPZLXROL-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.84
Rot. Bonds

About isoquinoline;morpholine

isoquinoline;morpholine (PubChem CID 161062345) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is isoquinoline;morpholine.

Molecular Properties

Compound Nameisoquinoline;morpholine
PubChem CID161062345
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Nameisoquinoline;morpholine
SMILESC1COCCN1.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C4H9NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-6-4-2-5-1/h1-7H;5H,1-4H2
InChIKeyUDOGDVKPZLXROL-UHFFFAOYSA-N
XLogP1.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinoline;1,3,5-triazine
CID 175198893
hydroxylamine;isoquinoline
CID 158472415
ethane;isoquinoline;hydroiodide
CID 153349858
dichloroiron;isoquinoline
CID 157065360
fluoroboronic acid;isoquinoline
CID 172796468
isoquinoline;prop-1-ene
CID 142462490
1H-imidazole;isoquinoline
CID 67481109
isoquinoline;1,2,2-triphenylethenylbenzene
CID 159280629
acetic acid;isoquinoline
CID 66713221
6-naphthalen-2-ylisoquinoline
CID 59724414
phthalazine;piperazine
CID 160532131
isoquinoline;2-(oxan-2-yloxy)oxane
CID 174581764

Frequently Asked Questions

What is the IUPAC name of isoquinoline;morpholine?
The IUPAC name of isoquinoline;morpholine (CID 161062345) is isoquinoline;morpholine.
What is the SMILES notation for isoquinoline;morpholine?
The canonical SMILES for isoquinoline;morpholine is C1COCCN1.c1ccc2cnccc2c1.
What is the InChIKey of isoquinoline;morpholine?
The InChIKey is UDOGDVKPZLXROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C4H9NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-6-4-2-5-1/h1-7H;5H,1-4H2.
What are the key properties of isoquinoline;morpholine?
isoquinoline;morpholine has a molecular weight of 216.28 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline;morpholine is sourced from PubChem (CID 161062345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).