1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol

C22H14ClF2NO2 — CID 137125914

IUPAC1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol
SMILESCOc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(O)c(F)cc12
InChIInChI=1S/C22H14ClF2NO2/c1-28-21-11-15(12-3-2-4-14(24)7-12)18(23)9-17(21)22-16-10-19(25)20(27)8-13(16)5-6-26-22/h2-11,27H,1H3
InChIKeyPWKDYHJFJJSYRS-UHFFFAOYSA-N
MW397.81 g/mol
LogP6.21
Rot. Bonds3

About 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol

1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol (PubChem CID 137125914) has the molecular formula C22H14ClF2NO2 and a molecular weight of 397.81 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol.

Molecular Properties

Compound Name1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol
PubChem CID137125914
Molecular FormulaC22H14ClF2NO2
Molecular Weight397.81 g/mol
Exact Mass397.07
IUPAC Name1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol
SMILESCOc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(O)c(F)cc12
InChIInChI=1S/C22H14ClF2NO2/c1-28-21-11-15(12-3-2-4-14(24)7-12)18(23)9-17(21)22-16-10-19(25)20(27)8-13(16)5-6-26-22/h2-11,27H,1H3
InChIKeyPWKDYHJFJJSYRS-UHFFFAOYSA-N
XLogP6.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.81
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinoline-6-sulfonic acid
CID 121333962
11-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-5H-isothiochromeno[3,4-g]isoquinoline
CID 123658453
1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-N-(1,3-oxazol-2-yl)isoquinoline-6-sulfonamide
CID 121333853
3-(3-fluorophenyl)-4,5-dimethoxypyridine
CID 174673027
1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
CID 3029064
5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline
CID 122693573
4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole
CID 59983923
(2,3,4,5,6-pentafluorophenyl) 1-(4-bromo-5-chloro-2-methoxyphenyl)isoquinoline-6-sulfinate
CID 144758729
6-benzylsulfanyl-1-(4-chloro-2-methoxy-5-methylphenyl)isoquinoline
CID 121333873
4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine
CID 61033866
5-(4-fluoro-2-methoxyphenyl)-1,6-naphthyridine
CID 162630412

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol?
The IUPAC name of 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol (CID 137125914) is 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol.
What is the SMILES notation for 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol?
The canonical SMILES for 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol is COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(O)c(F)cc12.
What is the InChIKey of 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol?
The InChIKey is PWKDYHJFJJSYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2NO2/c1-28-21-11-15(12-3-2-4-14(24)7-12)18(23)9-17(21)22-16-10-19(25)20(27)8-13(16)5-6-26-22/h2-11,27H,1H3.
What are the key properties of 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol?
1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol has a molecular weight of 397.81 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-fluoroisoquinolin-6-ol is sourced from PubChem (CID 137125914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).