[2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone

C24H21FN2O2 — CID 23146329

IUPAC[2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCCCC1Cc1cc2cc(F)ccc2o1
InChIInChI=1S/C24H21FN2O2/c25-17-9-10-23-16(13-17)14-19(29-23)15-18-5-1-2-12-27(18)24(28)21-6-3-8-22-20(21)7-4-11-26-22/h3-4,6-11,13-14,18H,1-2,5,12,15H2
InChIKeyFELSFMQTGHXJHK-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.36
Rot. Bonds3

About [2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone

[2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone (PubChem CID 23146329) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is [2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone
PubChem CID23146329
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name[2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCCCC1Cc1cc2cc(F)ccc2o1
InChIInChI=1S/C24H21FN2O2/c25-17-9-10-23-16(13-17)14-19(29-23)15-18-5-1-2-12-27(18)24(28)21-6-3-8-22-20(21)7-4-11-26-22/h3-4,6-11,13-14,18H,1-2,5,12,15H2
InChIKeyFELSFMQTGHXJHK-UHFFFAOYSA-N
XLogP5.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone?
The IUPAC name of [2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone (CID 23146329) is [2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)N1CCCCC1Cc1cc2cc(F)ccc2o1.
What is the InChIKey of [2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is FELSFMQTGHXJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c25-17-9-10-23-16(13-17)14-19(29-23)15-18-5-1-2-12-27(18)24(28)21-6-3-8-22-20(21)7-4-11-26-22/h3-4,6-11,13-14,18H,1-2,5,12,15H2.
What are the key properties of [2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone?
[2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone has a molecular weight of 388.44 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 23146329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).