7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline

C18H14FN3O — CID 118577015

IUPAC7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
SMILESFCCOc1ccc2cc(-n3ccc4ccncc43)ncc2c1
InChIInChI=1S/C18H14FN3O/c19-5-8-23-16-2-1-14-10-18(21-11-15(14)9-16)22-7-4-13-3-6-20-12-17(13)22/h1-4,6-7,9-12H,5,8H2
InChIKeyQGDGGODXTOURLA-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.92
Rot. Bonds4

About 7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline

7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline (PubChem CID 118577015) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline.

Molecular Properties

Compound Name7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
PubChem CID118577015
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
SMILESFCCOc1ccc2cc(-n3ccc4ccncc43)ncc2c1
InChIInChI=1S/C18H14FN3O/c19-5-8-23-16-2-1-14-10-18(21-11-15(14)9-16)22-7-4-13-3-6-20-12-17(13)22/h1-4,6-7,9-12H,5,8H2
InChIKeyQGDGGODXTOURLA-UHFFFAOYSA-N
XLogP3.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The IUPAC name of 7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline (CID 118577015) is 7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline.
What is the SMILES notation for 7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The canonical SMILES for 7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline is FCCOc1ccc2cc(-n3ccc4ccncc43)ncc2c1.
What is the InChIKey of 7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The InChIKey is QGDGGODXTOURLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-5-8-23-16-2-1-14-10-18(21-11-15(14)9-16)22-7-4-13-3-6-20-12-17(13)22/h1-4,6-7,9-12H,5,8H2.
What are the key properties of 7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline has a molecular weight of 307.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline is sourced from PubChem (CID 118577015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).