6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline

C17H12FN3O — CID 118577019

IUPAC6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline
SMILESCOc1cc2ccn(-c3cc4cc(F)ccc4cn3)c2cn1
InChIInChI=1S/C17H12FN3O/c1-22-17-8-11-4-5-21(15(11)10-20-17)16-7-13-6-14(18)3-2-12(13)9-19-16/h2-10H,1H3
InChIKeyQXGQGCUETQWLHG-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.72
Rot. Bonds2

About 6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline

6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline (PubChem CID 118577019) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline.

Molecular Properties

Compound Name6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline
PubChem CID118577019
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline
SMILESCOc1cc2ccn(-c3cc4cc(F)ccc4cn3)c2cn1
InChIInChI=1S/C17H12FN3O/c1-22-17-8-11-4-5-21(15(11)10-20-17)16-7-13-6-14(18)3-2-12(13)9-19-16/h2-10H,1H3
InChIKeyQXGQGCUETQWLHG-UHFFFAOYSA-N
XLogP3.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline?
The IUPAC name of 6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline (CID 118577019) is 6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline.
What is the SMILES notation for 6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline?
The canonical SMILES for 6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline is COc1cc2ccn(-c3cc4cc(F)ccc4cn3)c2cn1.
What is the InChIKey of 6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline?
The InChIKey is QXGQGCUETQWLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c1-22-17-8-11-4-5-21(15(11)10-20-17)16-7-13-6-14(18)3-2-12(13)9-19-16/h2-10H,1H3.
What are the key properties of 6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline?
6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline has a molecular weight of 293.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)isoquinoline is sourced from PubChem (CID 118577019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).