4-(4-fluorophenyl)-1,7-dimethylisoquinoline

C17H14FN — CID 134869171

IUPAC4-(4-fluorophenyl)-1,7-dimethylisoquinoline
SMILESCc1ccc2c(-c3ccc(F)cc3)cnc(C)c2c1
InChIInChI=1S/C17H14FN/c1-11-3-8-15-16(9-11)12(2)19-10-17(15)13-4-6-14(18)7-5-13/h3-10H,1-2H3
InChIKeyISMAYRSOXZPPRA-UHFFFAOYSA-N
MW251.30 g/mol
LogP4.66
Rot. Bonds1

About 4-(4-fluorophenyl)-1,7-dimethylisoquinoline

4-(4-fluorophenyl)-1,7-dimethylisoquinoline (PubChem CID 134869171) has the molecular formula C17H14FN and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,7-dimethylisoquinoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,7-dimethylisoquinoline
PubChem CID134869171
Molecular FormulaC17H14FN
Molecular Weight251.30 g/mol
Exact Mass251.11
IUPAC Name4-(4-fluorophenyl)-1,7-dimethylisoquinoline
SMILESCc1ccc2c(-c3ccc(F)cc3)cnc(C)c2c1
InChIInChI=1S/C17H14FN/c1-11-3-8-15-16(9-11)12(2)19-10-17(15)13-4-6-14(18)7-5-13/h3-10H,1-2H3
InChIKeyISMAYRSOXZPPRA-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493
2-fluoro-5-(4-fluorophenyl)-4-methylpyridine
CID 46312606
2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine
CID 121384461
4-[1-(aminomethyl)-6-methylisoquinolin-4-yl]aniline
CID 82584223
3-(4-fluorophenyl)-5-methylpyridin-2-amine;hydrochloride
CID 69015794
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
7-(3-fluorophenyl)-4-(4-fluorophenyl)isoquinolin-1-amine
CID 44527392
2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine
CID 21350387
1,3-bis(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinoline
CID 20953396
6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
CID 3029075
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,7-dimethylisoquinoline?
The IUPAC name of 4-(4-fluorophenyl)-1,7-dimethylisoquinoline (CID 134869171) is 4-(4-fluorophenyl)-1,7-dimethylisoquinoline.
What is the SMILES notation for 4-(4-fluorophenyl)-1,7-dimethylisoquinoline?
The canonical SMILES for 4-(4-fluorophenyl)-1,7-dimethylisoquinoline is Cc1ccc2c(-c3ccc(F)cc3)cnc(C)c2c1.
What is the InChIKey of 4-(4-fluorophenyl)-1,7-dimethylisoquinoline?
The InChIKey is ISMAYRSOXZPPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN/c1-11-3-8-15-16(9-11)12(2)19-10-17(15)13-4-6-14(18)7-5-13/h3-10H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1,7-dimethylisoquinoline?
4-(4-fluorophenyl)-1,7-dimethylisoquinoline has a molecular weight of 251.30 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,7-dimethylisoquinoline is sourced from PubChem (CID 134869171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).