propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate

C17H23NO6 — CID 143381989

IUPACpropyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate
SMILESCCCOC(=O)CCN1CCc2c(cc(OC)c(O)c2OC)C1=O
InChIInChI=1S/C17H23NO6/c1-4-9-24-14(19)6-8-18-7-5-11-12(17(18)21)10-13(22-2)15(20)16(11)23-3/h10,20H,4-9H2,1-3H3
InChIKeyIQSRTTPRENROCA-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.75
Rot. Bonds7

About propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate

propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate (PubChem CID 143381989) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate.

Molecular Properties

Compound Namepropyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate
PubChem CID143381989
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Namepropyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate
SMILESCCCOC(=O)CCN1CCc2c(cc(OC)c(O)c2OC)C1=O
InChIInChI=1S/C17H23NO6/c1-4-9-24-14(19)6-8-18-7-5-11-12(17(18)21)10-13(22-2)15(20)16(11)23-3/h10,20H,4-9H2,1-3H3
InChIKeyIQSRTTPRENROCA-UHFFFAOYSA-N
XLogP1.75
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(6,8-dimethoxy-1-oxo-7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-2-yl)propanoate
CID 143381953
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
propyl 3-[(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 19183166
2-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-3,4-dihydroisoquinolin-1-one
CID 19363245
2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 82279753
propyl 3-[(5E)-5-[[3-bromo-5-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 19198914
propyl 3-[(5E)-5-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 19198892
3-hydroxypropyl 3-[4-hydroxy-3-[2-hydroxy-5-[3-(3-hydroxypropoxy)-3-oxopropyl]-3-methoxyphenyl]-5-methoxyphenyl]propanoate
CID 162818155
propyl 3-[(5Z)-5-[(3-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 19182737
2-(3-chloropropyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 13327027
2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid
CID 151109403
4-bromo-2-[4-(dibutylamino)butyl]-5,6-dimethoxy-3H-isoindol-1-one
CID 68860818

Frequently Asked Questions

What is the IUPAC name of propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate?
The IUPAC name of propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate (CID 143381989) is propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate.
What is the SMILES notation for propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate?
The canonical SMILES for propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate is CCCOC(=O)CCN1CCc2c(cc(OC)c(O)c2OC)C1=O.
What is the InChIKey of propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate?
The InChIKey is IQSRTTPRENROCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-4-9-24-14(19)6-8-18-7-5-11-12(17(18)21)10-13(22-2)15(20)16(11)23-3/h10,20H,4-9H2,1-3H3.
What are the key properties of propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate?
propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate has a molecular weight of 337.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(6-hydroxy-5,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate is sourced from PubChem (CID 143381989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).