5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol

C18H15FN2O2 — CID 91062272

IUPAC5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol
SMILESCOc1cc2c(O)n(-c3ccc4c(ccn4C)c3)cc2cc1F
InChIInChI=1S/C18H15FN2O2/c1-20-6-5-11-7-13(3-4-16(11)20)21-10-12-8-15(19)17(23-2)9-14(12)18(21)22/h3-10,22H,1-2H3
InChIKeySKIPRAOJKFYKPI-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.98
Rot. Bonds2

About 5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol

5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol (PubChem CID 91062272) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol.

Molecular Properties

Compound Name5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol
PubChem CID91062272
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol
SMILESCOc1cc2c(O)n(-c3ccc4c(ccn4C)c3)cc2cc1F
InChIInChI=1S/C18H15FN2O2/c1-20-6-5-11-7-13(3-4-16(11)20)21-10-12-8-15(19)17(23-2)9-14(12)18(21)22/h3-10,22H,1-2H3
InChIKeySKIPRAOJKFYKPI-UHFFFAOYSA-N
XLogP3.98
TPSA39.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
4-{1-[4-(5-Methoxy-1H-indol-3-yl)-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-phenol
CID 44396390
[1-[(4-Methoxyphenyl)methyl]indol-3-yl]methanol
CID 20109674
[2-(5-Methoxy-1-phenyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 44327972
4-[1-(4-fluorophenyl)indol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutan-1-amine
CID 118720772
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-(4-fluorophenyl)indol-3-yl]-N-methylbutan-1-amine
CID 118720774
N-ethyl-4-[1-(4-fluorophenyl)indol-3-yl]-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 118720778
N-ethyl-4-[1-(4-fluorophenyl)indol-3-yl]-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 118720779
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-[1-(4-fluorophenyl)indol-3-yl]butan-1-amine
CID 118720780
3-Ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline
CID 122192617
[1-[(2,4-Difluorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967130
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole
CID 25058205

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol?
The IUPAC name of 5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol (CID 91062272) is 5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol.
What is the SMILES notation for 5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol?
The canonical SMILES for 5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol is COc1cc2c(O)n(-c3ccc4c(ccn4C)c3)cc2cc1F.
What is the InChIKey of 5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol?
The InChIKey is SKIPRAOJKFYKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-20-6-5-11-7-13(3-4-16(11)20)21-10-12-8-15(19)17(23-2)9-14(12)18(21)22/h3-10,22H,1-2H3.
What are the key properties of 5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol?
5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol has a molecular weight of 310.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol is sourced from PubChem (CID 91062272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).