8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline

C18H14FN3O — CID 118585718

IUPAC8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
SMILESFCCOc1cccc2cc(-n3ccc4ccncc43)ncc12
InChIInChI=1S/C18H14FN3O/c19-6-9-23-17-3-1-2-14-10-18(21-11-15(14)17)22-8-5-13-4-7-20-12-16(13)22/h1-5,7-8,10-12H,6,9H2
InChIKeyHOIAPPQYNAWWQM-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.92
Rot. Bonds4

About 8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline

8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline (PubChem CID 118585718) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline.

Molecular Properties

Compound Name8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
PubChem CID118585718
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
SMILESFCCOc1cccc2cc(-n3ccc4ccncc43)ncc12
InChIInChI=1S/C18H14FN3O/c19-6-9-23-17-3-1-2-14-10-18(21-11-15(14)17)22-8-5-13-4-7-20-12-16(13)22/h1-5,7-8,10-12H,6,9H2
InChIKeyHOIAPPQYNAWWQM-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 8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The IUPAC name of 8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline (CID 118585718) is 8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline.
What is the SMILES notation for 8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The canonical SMILES for 8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline is FCCOc1cccc2cc(-n3ccc4ccncc43)ncc12.
What is the InChIKey of 8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The InChIKey is HOIAPPQYNAWWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-6-9-23-17-3-1-2-14-10-18(21-11-15(14)17)22-8-5-13-4-7-20-12-16(13)22/h1-5,7-8,10-12H,6,9H2.
What are the key properties of 8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
8-(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 8-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline is sourced from PubChem (CID 118585718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).