5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol

C20H24F2N2O4 — CID 160976441

IUPAC5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESCOc1cc(F)c2c(c1)CNCC2O.COc1cc(F)cc2c1C(O)CNC2
InChIInChI=1S/2C10H12FNO2/c1-14-9-3-7(11)2-6-4-12-5-8(13)10(6)9;1-14-7-2-6-4-12-5-9(13)10(6)8(11)3-7/h2-3,8,12-13H,4-5H2,1H3;2-3,9,12-13H,4-5H2,1H3
InChIKeySYXYBCBDWWOPGI-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.94
Rot. Bonds2

About 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol

5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol (PubChem CID 160976441) has the molecular formula C20H24F2N2O4 and a molecular weight of 394.42 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol.

Molecular Properties

Compound Name5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol
PubChem CID160976441
Molecular FormulaC20H24F2N2O4
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Name5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESCOc1cc(F)c2c(c1)CNCC2O.COc1cc(F)cc2c1C(O)CNC2
InChIInChI=1S/2C10H12FNO2/c1-14-9-3-7(11)2-6-4-12-5-8(13)10(6)9;1-14-7-2-6-4-12-5-9(13)10(6)8(11)3-7/h2-3,8,12-13H,4-5H2,1H3;2-3,9,12-13H,4-5H2,1H3
InChIKeySYXYBCBDWWOPGI-UHFFFAOYSA-N
XLogP1.94
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol?
The IUPAC name of 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol (CID 160976441) is 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol.
What is the SMILES notation for 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol?
The canonical SMILES for 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol is COc1cc(F)c2c(c1)CNCC2O.COc1cc(F)cc2c1C(O)CNC2.
What is the InChIKey of 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol?
The InChIKey is SYXYBCBDWWOPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12FNO2/c1-14-9-3-7(11)2-6-4-12-5-8(13)10(6)9;1-14-7-2-6-4-12-5-9(13)10(6)8(11)3-7/h2-3,8,12-13H,4-5H2,1H3;2-3,9,12-13H,4-5H2,1H3.
What are the key properties of 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol?
5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol has a molecular weight of 394.42 g/mol, XLogP of 1.94, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;7-fluoro-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol is sourced from PubChem (CID 160976441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).