5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol

C21H19FN2O — CID 23160806

IUPAC5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol
SMILESCC1(C)N=C(c2cnc3ccccc3c2)c2cccc(F)c2C1(C)O
InChIInChI=1S/C21H19FN2O/c1-20(2)21(3,25)18-15(8-6-9-16(18)22)19(24-20)14-11-13-7-4-5-10-17(13)23-12-14/h4-12,25H,1-3H3
InChIKeyWYXFMPIXKQAANE-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.21
Rot. Bonds1

About 5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol

5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol (PubChem CID 23160806) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol.

Molecular Properties

Compound Name5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol
PubChem CID23160806
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol
SMILESCC1(C)N=C(c2cnc3ccccc3c2)c2cccc(F)c2C1(C)O
InChIInChI=1S/C21H19FN2O/c1-20(2)21(3,25)18-15(8-6-9-16(18)22)19(24-20)14-11-13-7-4-5-10-17(13)23-12-14/h4-12,25H,1-3H3
InChIKeyWYXFMPIXKQAANE-UHFFFAOYSA-N
XLogP4.21
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol?
The IUPAC name of 5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol (CID 23160806) is 5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol.
What is the SMILES notation for 5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol?
The canonical SMILES for 5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol is CC1(C)N=C(c2cnc3ccccc3c2)c2cccc(F)c2C1(C)O.
What is the InChIKey of 5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol?
The InChIKey is WYXFMPIXKQAANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-20(2)21(3,25)18-15(8-6-9-16(18)22)19(24-20)14-11-13-7-4-5-10-17(13)23-12-14/h4-12,25H,1-3H3.
What are the key properties of 5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol?
5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol has a molecular weight of 334.39 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3,4-trimethyl-1-quinolin-3-ylisoquinolin-4-ol is sourced from PubChem (CID 23160806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).