[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone

C22H20FN3O2 — CID 90442498

IUPAC[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)N1C2CCC1C(COc1ccc(F)cn1)C2
InChIInChI=1S/C22H20FN3O2/c23-16-6-9-20(25-12-16)28-13-15-11-17-7-8-19(15)26(17)22(27)18-5-1-3-14-4-2-10-24-21(14)18/h1-6,9-10,12,15,17,19H,7-8,11,13H2
InChIKeyRHTRJHAOUGVNFK-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.84
Rot. Bonds4

About [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone (PubChem CID 90442498) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone
PubChem CID90442498
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)N1C2CCC1C(COc1ccc(F)cn1)C2
InChIInChI=1S/C22H20FN3O2/c23-16-6-9-20(25-12-16)28-13-15-11-17-7-8-19(15)26(17)22(27)18-5-1-3-14-4-2-10-24-21(14)18/h1-6,9-10,12,15,17,19H,7-8,11,13H2
InChIKeyRHTRJHAOUGVNFK-UHFFFAOYSA-N
XLogP3.84
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone (CID 90442498) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone is O=C(c1cccc2cccnc12)N1C2CCC1C(COc1ccc(F)cn1)C2.
What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone?
The InChIKey is RHTRJHAOUGVNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-16-6-9-20(25-12-16)28-13-15-11-17-7-8-19(15)26(17)22(27)18-5-1-3-14-4-2-10-24-21(14)18/h1-6,9-10,12,15,17,19H,7-8,11,13H2.
What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone?
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone has a molecular weight of 377.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 90442498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).