(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine

C22H23FN2O3 — CID 92600896

IUPAC(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
SMILESCOc1cccc(CN2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1OC
InChIInChI=1S/C22H23FN2O3/c1-26-20-5-3-4-16(22(20)27-2)13-25-8-9-28-21(14-25)19-11-17-10-18(23)7-6-15(17)12-24-19/h3-7,10-12,21H,8-9,13-14H2,1-2H3/t21-/m1/s1
InChIKeyIKIFXCVIPYVSHE-OAQYLSRUSA-N
MW382.44 g/mol
LogP3.96
Rot. Bonds5

About (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine

(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine (PubChem CID 92600896) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
PubChem CID92600896
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
SMILESCOc1cccc(CN2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1OC
InChIInChI=1S/C22H23FN2O3/c1-26-20-5-3-4-16(22(20)27-2)13-25-8-9-28-21(14-25)19-11-17-10-18(23)7-6-15(17)12-24-19/h3-7,10-12,21H,8-9,13-14H2,1-2H3/t21-/m1/s1
InChIKeyIKIFXCVIPYVSHE-OAQYLSRUSA-N
XLogP3.96
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 110218665
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128996806
6-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112505
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124972882
[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92598325
4-[(4-fluorophenyl)methyl]-2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250272
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
CID 97063266
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198
2-[6-(4-methoxyphenyl)pyrazin-2-yl]-4-(quinolin-5-ylmethyl)morpholine
CID 127251047

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine?
The IUPAC name of (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine (CID 92600896) is (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine.
What is the SMILES notation for (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine?
The canonical SMILES for (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine is COc1cccc(CN2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c1OC.
What is the InChIKey of (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine?
The InChIKey is IKIFXCVIPYVSHE-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-26-20-5-3-4-16(22(20)27-2)13-25-8-9-28-21(14-25)19-11-17-10-18(23)7-6-15(17)12-24-19/h3-7,10-12,21H,8-9,13-14H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine?
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine has a molecular weight of 382.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine is sourced from PubChem (CID 92600896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).