4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline

C24H21FN4O3 — CID 70011723

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)cnnc2cc1OCCn1cccc1
InChIInChI=1S/C24H21FN4O3/c1-15-11-17-18(27-15)5-6-20(24(17)25)32-23-14-26-28-19-13-22(21(30-2)12-16(19)23)31-10-9-29-7-3-4-8-29/h3-8,11-14,27H,9-10H2,1-2H3
InChIKeyIILATORDLFSAQJ-UHFFFAOYSA-N
MW432.46 g/mol
LogP5.24
Rot. Bonds7

About 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline (PubChem CID 70011723) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline.

Molecular Properties

Compound Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline
PubChem CID70011723
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline
SMILESCOc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)cnnc2cc1OCCn1cccc1
InChIInChI=1S/C24H21FN4O3/c1-15-11-17-18(27-15)5-6-20(24(17)25)32-23-14-26-28-19-13-22(21(30-2)12-16(19)23)31-10-9-29-7-3-4-8-29/h3-8,11-14,27H,9-10H2,1-2H3
InChIKeyIILATORDLFSAQJ-UHFFFAOYSA-N
XLogP5.24
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline?
The IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline (CID 70011723) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline.
What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline?
The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)cnnc2cc1OCCn1cccc1.
What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline?
The InChIKey is IILATORDLFSAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-15-11-17-18(27-15)5-6-20(24(17)25)32-23-14-26-28-19-13-22(21(30-2)12-16(19)23)31-10-9-29-7-3-4-8-29/h3-8,11-14,27H,9-10H2,1-2H3.
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline has a molecular weight of 432.46 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(2-pyrrol-1-ylethoxy)cinnoline is sourced from PubChem (CID 70011723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).