7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline

C19H15FN2O — CID 164820560

IUPAC7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline
SMILESFCCOc1ccc2cc(-n3ccc4ccccc43)ncc2c1
InChIInChI=1S/C19H15FN2O/c20-8-10-23-17-6-5-15-12-19(21-13-16(15)11-17)22-9-7-14-3-1-2-4-18(14)22/h1-7,9,11-13H,8,10H2
InChIKeyIJHCKYQVEWVUNA-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.53
Rot. Bonds4

About 7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline

7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline (PubChem CID 164820560) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline.

Molecular Properties

Compound Name7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline
PubChem CID164820560
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline
SMILESFCCOc1ccc2cc(-n3ccc4ccccc43)ncc2c1
InChIInChI=1S/C19H15FN2O/c20-8-10-23-17-6-5-15-12-19(21-13-16(15)11-17)22-9-7-14-3-1-2-4-18(14)22/h1-7,9,11-13H,8,10H2
InChIKeyIJHCKYQVEWVUNA-UHFFFAOYSA-N
XLogP4.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-indol-1-ylisoquinolin-6-amine
CID 164820532
5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
CID 118585714
1-pyrazin-2-ylindole
CID 58898193
2-[3-(fluoromethoxy)propoxy]naphthalene
CID 71043107
1-(2-naphthalen-2-yloxyethyl)pyrrole
CID 82083884
1-[3-(3-phenoxyphenoxy)propoxy]indole
CID 142737096
6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-7-amine
CID 118585652
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-naphthalen-2-yloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23534221
6-(2-fluoroethoxy)naphthalene-2-carboxylic acid
CID 134093258
6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline
CID 155583136
6-(2-(18F)fluoroethoxy)naphthalene-1-carbaldehyde
CID 58518892

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline?
The IUPAC name of 7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline (CID 164820560) is 7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline.
What is the SMILES notation for 7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline?
The canonical SMILES for 7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline is FCCOc1ccc2cc(-n3ccc4ccccc43)ncc2c1.
What is the InChIKey of 7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline?
The InChIKey is IJHCKYQVEWVUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-8-10-23-17-6-5-15-12-19(21-13-16(15)11-17)22-9-7-14-3-1-2-4-18(14)22/h1-7,9,11-13H,8,10H2.
What are the key properties of 7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline?
7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline has a molecular weight of 306.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethoxy)-3-indol-1-ylisoquinoline is sourced from PubChem (CID 164820560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).