4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol

C18H14FN3O3 — CID 135749776

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)cnnc2cc1O
InChIInChI=1S/C18H14FN3O3/c1-9-5-11-12(21-9)3-4-15(18(11)19)25-17-8-20-22-13-7-14(23)16(24-2)6-10(13)17/h3-8,21,23H,1-2H3
InChIKeyMPYLBEQUYBSTNA-UHFFFAOYSA-N
MW339.33 g/mol
LogP4.07
Rot. Bonds3

About 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol (PubChem CID 135749776) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol.

Molecular Properties

Compound Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol
PubChem CID135749776
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)cnnc2cc1O
InChIInChI=1S/C18H14FN3O3/c1-9-5-11-12(21-9)3-4-15(18(11)19)25-17-8-20-22-13-7-14(23)16(24-2)6-10(13)17/h3-8,21,23H,1-2H3
InChIKeyMPYLBEQUYBSTNA-UHFFFAOYSA-N
XLogP4.07
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol?
The IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol (CID 135749776) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol.
What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol?
The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)cnnc2cc1O.
What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol?
The InChIKey is MPYLBEQUYBSTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-9-5-11-12(21-9)3-4-15(18(11)19)25-17-8-20-22-13-7-14(23)16(24-2)6-10(13)17/h3-8,21,23H,1-2H3.
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol has a molecular weight of 339.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol is sourced from PubChem (CID 135749776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).