(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone

C21H20N2O4 — CID 156896920

IUPAC(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
SMILESCc1nc(C(=O)N2CCOCC2)c(O)c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C21H20N2O4/c1-14-18-13-16(27-15-5-3-2-4-6-15)7-8-17(18)20(24)19(22-14)21(25)23-9-11-26-12-10-23/h2-8,13,24H,9-12H2,1H3
InChIKeyFCTGJGUPMAKCBV-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.51
Rot. Bonds3

About (4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone

(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone (PubChem CID 156896920) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
PubChem CID156896920
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
SMILESCc1nc(C(=O)N2CCOCC2)c(O)c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C21H20N2O4/c1-14-18-13-16(27-15-5-3-2-4-6-15)7-8-17(18)20(24)19(22-14)21(25)23-9-11-26-12-10-23/h2-8,13,24H,9-12H2,1H3
InChIKeyFCTGJGUPMAKCBV-UHFFFAOYSA-N
XLogP3.51
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-hydroxy-3-(morpholine-4-carbonyl)-7-phenoxyisoquinolin-1-yl]methyl acetate
CID 156896923
(4-hydroxy-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone
CID 156896926
ethane;ethyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate
CID 155782315
methyl 2-[(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carbonyl)amino]ethaneperoxoate
CID 166010194
4-hydroxy-1-methyl-N-[(5-oxo-4H-triazol-1-yl)methyl]-7-phenoxyisoquinoline-3-carboxamide
CID 122427588
2-[[7-(4-chlorophenoxy)-4-hydroxy-1-methylisoquinoline-3-carbonyl]amino]acetic acid
CID 11165097
(1-hydroxy-4-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 20719419
(1-methoxy-4-methylisoquinolin-3-yl)-morpholin-4-ylmethanone
CID 13230089
(2S)-2,6-diaminohexanoic acid;2-[(4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carbonyl)amino]acetic acid
CID 72948837
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone
CID 8002841
benzyl 1-methyl-6-phenoxy-4-phenylmethoxyisoquinoline-3-carboxylate;1-bromo-4-hydroxy-6-phenoxyisoquinoline-3-carboxylic acid
CID 161270780

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone (CID 156896920) is (4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone is Cc1nc(C(=O)N2CCOCC2)c(O)c2ccc(Oc3ccccc3)cc12.
What is the InChIKey of (4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is FCTGJGUPMAKCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14-18-13-16(27-15-5-3-2-4-6-15)7-8-17(18)20(24)19(22-14)21(25)23-9-11-26-12-10-23/h2-8,13,24H,9-12H2,1H3.
What are the key properties of (4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone?
(4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 364.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 156896920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).