[5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone

C23H20ClFN2O2 — CID 159068685

IUPAC[5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1Cc2cc(Cl)cc(-c3ccnc4c(F)cccc34)c2O1)N1CCCCC1
InChIInChI=1S/C23H20ClFN2O2/c24-15-11-14-12-20(23(28)27-9-2-1-3-10-27)29-22(14)18(13-15)16-7-8-26-21-17(16)5-4-6-19(21)25/h4-8,11,13,20H,1-3,9-10,12H2
InChIKeyZRNXNFLTHXFCIU-UHFFFAOYSA-N
MW410.88 g/mol
LogP5.01
Rot. Bonds2

About [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone

[5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone (PubChem CID 159068685) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
PubChem CID159068685
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC Name[5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1Cc2cc(Cl)cc(-c3ccnc4c(F)cccc34)c2O1)N1CCCCC1
InChIInChI=1S/C23H20ClFN2O2/c24-15-11-14-12-20(23(28)27-9-2-1-3-10-27)29-22(14)18(13-15)16-7-8-26-21-17(16)5-4-6-19(21)25/h4-8,11,13,20H,1-3,9-10,12H2
InChIKeyZRNXNFLTHXFCIU-UHFFFAOYSA-N
XLogP5.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

2-[4-chloro-2-[6-fluoro-2-[3-(1-methylindol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-1-yl]phenoxy]acetic acid
CID 66653761
[(2S)-1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-5-yloxypropan-2-yl] 2,2,2-trifluoroacetate
CID 69440628
3-[3-(5-chloro-1H-indol-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-2-carboxamide
CID 91073593
[4-[4-(8-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124137545
[4-[4-(8-Chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 124137546
[(3S,4R)-3-fluoro-4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124137677
[3-Fluoro-4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 124137679
[(3R,4S)-3-fluoro-4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124137680
[4-[4-(7-fluoroquinolin-3-yl)phenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124137908
[4-[4-(7-Fluoroquinolin-3-yl)phenoxy]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 124137910
[4-[4-(6-fluoro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124137976
[4-[4-(6-Fluoro-7-methoxyquinolin-3-yl)phenoxy]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 124137978

Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone (CID 159068685) is [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone is O=C(C1Cc2cc(Cl)cc(-c3ccnc4c(F)cccc34)c2O1)N1CCCCC1.
What is the InChIKey of [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The InChIKey is ZRNXNFLTHXFCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c24-15-11-14-12-20(23(28)27-9-2-1-3-10-27)29-22(14)18(13-15)16-7-8-26-21-17(16)5-4-6-19(21)25/h4-8,11,13,20H,1-3,9-10,12H2.
What are the key properties of [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
[5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone has a molecular weight of 410.88 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159068685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).