6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline

C23H20FNO — CID 141162048

IUPAC6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline
SMILESCOc1ccc(CN2C=Cc3cc(F)c(-c4ccccc4)cc3C2)cc1
InChIInChI=1S/C23H20FNO/c1-26-21-9-7-17(8-10-21)15-25-12-11-19-14-23(24)22(13-20(19)16-25)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3
InChIKeyXAAXYZJXKSPQLV-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.49
Rot. Bonds4

About 6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline

6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline (PubChem CID 141162048) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is 6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline.

Molecular Properties

Compound Name6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline
PubChem CID141162048
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline
SMILESCOc1ccc(CN2C=Cc3cc(F)c(-c4ccccc4)cc3C2)cc1
InChIInChI=1S/C23H20FNO/c1-26-21-9-7-17(8-10-21)15-25-12-11-19-14-23(24)22(13-20(19)16-25)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3
InChIKeyXAAXYZJXKSPQLV-UHFFFAOYSA-N
XLogP5.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-benzyl-4-(4-methoxyphenyl)-1H-isoquinolin-7-yl]oxy]propan-1-ol
CID 66885135
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
1-benzyl-4-methoxy-2H-pyridine
CID 131167872
4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-2H-pyridine
CID 102519654
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine
CID 67228328
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
3-[(4-methoxyphenyl)methyl]-2-phenyl-4H-quinazoline-7-carboxylic acid
CID 102301423
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
1-benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 67065996

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline?
The IUPAC name of 6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline (CID 141162048) is 6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline.
What is the SMILES notation for 6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline?
The canonical SMILES for 6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline is COc1ccc(CN2C=Cc3cc(F)c(-c4ccccc4)cc3C2)cc1.
What is the InChIKey of 6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline?
The InChIKey is XAAXYZJXKSPQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO/c1-26-21-9-7-17(8-10-21)15-25-12-11-19-14-23(24)22(13-20(19)16-25)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3.
What are the key properties of 6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline?
6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline has a molecular weight of 345.42 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(4-methoxyphenyl)methyl]-7-phenyl-1H-isoquinoline is sourced from PubChem (CID 141162048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).