3-(6-chloroisoquinolin-8-yl)morpholine

C13H13ClN2O — CID 164913113

IUPAC3-(6-chloroisoquinolin-8-yl)morpholine
SMILESClc1cc(C2COCCN2)c2cnccc2c1
InChIInChI=1S/C13H13ClN2O/c14-10-5-9-1-2-15-7-12(9)11(6-10)13-8-17-4-3-16-13/h1-2,5-7,13,16H,3-4,8H2
InChIKeyNYYPUFRTCDUTIJ-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.55
Rot. Bonds1

About 3-(6-chloroisoquinolin-8-yl)morpholine

3-(6-chloroisoquinolin-8-yl)morpholine (PubChem CID 164913113) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-(6-chloroisoquinolin-8-yl)morpholine.

Molecular Properties

Compound Name3-(6-chloroisoquinolin-8-yl)morpholine
PubChem CID164913113
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name3-(6-chloroisoquinolin-8-yl)morpholine
SMILESClc1cc(C2COCCN2)c2cnccc2c1
InChIInChI=1S/C13H13ClN2O/c14-10-5-9-1-2-15-7-12(9)11(6-10)13-8-17-4-3-16-13/h1-2,5-7,13,16H,3-4,8H2
InChIKeyNYYPUFRTCDUTIJ-UHFFFAOYSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-pyridinyl)morpholine
CID 55273452
3-(3-fluoro-4-pyridinyl)morpholine
CID 55282870
3-(2,5-dichlorophenyl)morpholine
CID 126971180
4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193448
3-(5-chloro-1H-pyrazol-4-yl)morpholine
CID 84770590
5-chloro-2-morpholin-3-ylphenol
CID 82613253
(3R)-3-(4-chloro-2-pyridinyl)morpholine
CID 55274558
tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate
CID 164912666
(3R)-3-(2-chloroquinolin-3-yl)morpholine;hydrochloride
CID 171192924
(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
CID 130706269
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroisoquinolin-8-yl)morpholine?
The IUPAC name of 3-(6-chloroisoquinolin-8-yl)morpholine (CID 164913113) is 3-(6-chloroisoquinolin-8-yl)morpholine.
What is the SMILES notation for 3-(6-chloroisoquinolin-8-yl)morpholine?
The canonical SMILES for 3-(6-chloroisoquinolin-8-yl)morpholine is Clc1cc(C2COCCN2)c2cnccc2c1.
What is the InChIKey of 3-(6-chloroisoquinolin-8-yl)morpholine?
The InChIKey is NYYPUFRTCDUTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-10-5-9-1-2-15-7-12(9)11(6-10)13-8-17-4-3-16-13/h1-2,5-7,13,16H,3-4,8H2.
What are the key properties of 3-(6-chloroisoquinolin-8-yl)morpholine?
3-(6-chloroisoquinolin-8-yl)morpholine has a molecular weight of 248.71 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroisoquinolin-8-yl)morpholine is sourced from PubChem (CID 164913113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).