[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone

C23H28N2O4 — CID 51362810

IUPAC[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1cc(CN2Cc3ccccc3CC2C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C23H28N2O4/c1-2-29-22-13-17(7-8-21(22)26)15-25-16-19-6-4-3-5-18(19)14-20(25)23(27)24-9-11-28-12-10-24/h3-8,13,20,26H,2,9-12,14-16H2,1H3
InChIKeyOHGIUHVVVBRJCJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.58
Rot. Bonds5

About [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone

[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 51362810) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID51362810
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1cc(CN2Cc3ccccc3CC2C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C23H28N2O4/c1-2-29-22-13-17(7-8-21(22)26)15-25-16-19-6-4-3-5-18(19)14-20(25)23(27)24-9-11-28-12-10-24/h3-8,13,20,26H,2,9-12,14-16H2,1H3
InChIKeyOHGIUHVVVBRJCJ-UHFFFAOYSA-N
XLogP2.58
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone (CID 51362810) is [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone is CCOc1cc(CN2Cc3ccccc3CC2C(=O)N2CCOCC2)ccc1O.
What is the InChIKey of [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OHGIUHVVVBRJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-29-22-13-17(7-8-21(22)26)15-25-16-19-6-4-3-5-18(19)14-20(25)23(27)24-9-11-28-12-10-24/h3-8,13,20,26H,2,9-12,14-16H2,1H3.
What are the key properties of [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone?
[2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 396.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51362810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).