[4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate

C23H22N2O6 — CID 156896923

IUPAC[4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate
SMILESCC(=O)OCc1nc(C(=O)N2CCOCC2)c(O)c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C23H22N2O6/c1-15(26)30-14-20-19-13-17(31-16-5-3-2-4-6-16)7-8-18(19)22(27)21(24-20)23(28)25-9-11-29-12-10-25/h2-8,13,27H,9-12,14H2,1H3
InChIKeyLVEKEXVMNZAPDM-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.27
Rot. Bonds5

About [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate

[4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate (PubChem CID 156896923) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate.

Molecular Properties

Compound Name[4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate
PubChem CID156896923
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name[4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate
SMILESCC(=O)OCc1nc(C(=O)N2CCOCC2)c(O)c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C23H22N2O6/c1-15(26)30-14-20-19-13-17(31-16-5-3-2-4-6-16)7-8-18(19)22(27)21(24-20)23(28)25-9-11-29-12-10-25/h2-8,13,27H,9-12,14H2,1H3
InChIKeyLVEKEXVMNZAPDM-UHFFFAOYSA-N
XLogP3.27
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate with MolForge

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Related Compounds

(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
CID 156896920
methyl 1-(acetyloxymethyl)-4-hydroxy-7-(3-hydroxyphenoxy)isoquinoline-3-carboxylate
CID 145356405
(4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
CID 156896926
4-hydroxy-1-(methoxymethyl)-7-phenoxyisoquinoline-3-carboxamide
CID 141104929
ethyl 1-[[acetyl(methyl)amino]methyl]-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
CID 162516772
ethane;ethyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate
CID 155782315
1-(morpholin-4-ylmethyl)-7-phenoxyisoquinolin-4-ol
CID 175797878
methyl 4-acetyloxy-1-(acetyloxymethyl)-7-(4-methylphenoxy)isoquinoline-3-carboxylate
CID 118178552
methyl 4-acetyloxy-1-(acetyloxymethyl)-6-(4-methoxyphenoxy)isoquinoline-3-carboxylate
CID 118181185
acetyl acetate;methane;methyl 4-acetyloxy-1-(acetyloxymethyl)-7-(4-methylphenoxy)isoquinoline-3-carboxylate;methyl 1-(acetyloxymethyl)-4-hydroxy-7-(4-methylphenoxy)isoquinoline-3-carboxylate;methyl 1-[(dimethylamino)methyl]-4-hydroxy-7-(4-methylphenoxy)isoquinoline-3-carboxylate
CID 161041099
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
butyl 1-chloro-4-hydroxy-6-phenoxyisoquinoline-3-carboxylate
CID 86595469

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate?
The IUPAC name of [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate (CID 156896923) is [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate.
What is the SMILES notation for [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate?
The canonical SMILES for [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate is CC(=O)OCc1nc(C(=O)N2CCOCC2)c(O)c2ccc(Oc3ccccc3)cc12.
What is the InChIKey of [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate?
The InChIKey is LVEKEXVMNZAPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-15(26)30-14-20-19-13-17(31-16-5-3-2-4-6-16)7-8-18(19)22(27)21(24-20)23(28)25-9-11-29-12-10-25/h2-8,13,27H,9-12,14H2,1H3.
What are the key properties of [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate?
[4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate has a molecular weight of 422.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate is sourced from PubChem (CID 156896923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).