8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline

C20H18FN3 — CID 135152854

IUPAC8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline
SMILESCC1c2ccccc2C(c2cc3cccc(F)c3nn2)=NC1(C)C
InChIInChI=1S/C20H18FN3/c1-12-14-8-4-5-9-15(14)19(22-20(12,2)3)17-11-13-7-6-10-16(21)18(13)24-23-17/h4-12H,1-3H3
InChIKeyRWUDEZDMPUIWDF-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.50
Rot. Bonds1

About 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline

8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline (PubChem CID 135152854) has the molecular formula C20H18FN3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline.

Molecular Properties

Compound Name8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline
PubChem CID135152854
Molecular FormulaC20H18FN3
Molecular Weight319.38 g/mol
Exact Mass319.15
IUPAC Name8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline
SMILESCC1c2ccccc2C(c2cc3cccc(F)c3nn2)=NC1(C)C
InChIInChI=1S/C20H18FN3/c1-12-14-8-4-5-9-15(14)19(22-20(12,2)3)17-11-13-7-6-10-16(21)18(13)24-23-17/h4-12H,1-3H3
InChIKeyRWUDEZDMPUIWDF-UHFFFAOYSA-N
XLogP4.50
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline with MolForge

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Related Compounds

3-(5-chloro-3,3,4-trimethyl-4H-isoquinolin-1-yl)-8-fluorocinnoline
CID 135153141
3-(5-fluoro-3,3,4-trimethyl-4H-isoquinolin-1-yl)-8-methylcinnoline
CID 135152557
8-fluoro-3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)cinnoline
CID 135152450
8-methyl-3-[3,3,4-trimethyl-6-(trifluoromethyl)-4H-isoquinolin-1-yl]cinnoline
CID 135152876
3-(3-ethyl-4,4-difluoro-3-methylisoquinolin-1-yl)-8-fluorocinnoline
CID 135153033
3-(5-chloro-4,4-difluoro-3,3-dimethylisoquinolin-1-yl)-8-fluorocinnoline
CID 135152423
3-(5,6-difluoro-3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline
CID 135153771
3-(5,7-difluoro-3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline
CID 135152673
3,3,4-trimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160875
3-(4,4,5-trifluoro-3,3-dimethylisoquinolin-1-yl)cinnoline
CID 135153104
4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline
CID 167451965
4-(8-fluoroquinolin-3-yl)-2,2-dimethyl-1,3-benzothiazine
CID 165392471

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline?
The IUPAC name of 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline (CID 135152854) is 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline.
What is the SMILES notation for 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline?
The canonical SMILES for 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline is CC1c2ccccc2C(c2cc3cccc(F)c3nn2)=NC1(C)C.
What is the InChIKey of 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline?
The InChIKey is RWUDEZDMPUIWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3/c1-12-14-8-4-5-9-15(14)19(22-20(12,2)3)17-11-13-7-6-10-16(21)18(13)24-23-17/h4-12H,1-3H3.
What are the key properties of 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline?
8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline has a molecular weight of 319.38 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(3,3,4-trimethyl-4H-isoquinolin-1-yl)cinnoline is sourced from PubChem (CID 135152854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).