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

C24H23ClN2O3 — CID 157311463

IUPAC[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)ccc34)c2O1)N1CCCCC1
InChIInChI=1S/C24H23ClN2O3/c25-17-11-16-12-22(24(29)27-8-2-1-3-9-27)30-23(16)20(13-17)18-6-7-26-21-10-15(14-28)4-5-19(18)21/h4-7,10-11,13,22,28H,1-3,8-9,12,14H2
InChIKeyBDBYQWYVHQQPFX-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.36
Rot. Bonds3

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

[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone (PubChem CID 157311463) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is [5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
PubChem CID157311463
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
SMILESO=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)ccc34)c2O1)N1CCCCC1
InChIInChI=1S/C24H23ClN2O3/c25-17-11-16-12-22(24(29)27-8-2-1-3-9-27)30-23(16)20(13-17)18-6-7-26-21-10-15(14-28)4-5-19(18)21/h4-7,10-11,13,22,28H,1-3,8-9,12,14H2
InChIKeyBDBYQWYVHQQPFX-UHFFFAOYSA-N
XLogP4.36
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[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
[4-[4-(6-chloroquinolin-7-yl)-2-fluorophenoxy]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 155010930
[5-Chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 157819118
[5-Chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 157856483
[5-Chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 158478506
[5-Chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 158478507
[5-Chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 158478508
[5-Chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 159068685
[5-Chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 159326964
[5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-chloro-4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 160186838
[5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-6-fluoro-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 160218327

Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone (CID 157311463) is [5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone is O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)ccc34)c2O1)N1CCCCC1.
What is the InChIKey of [5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The InChIKey is BDBYQWYVHQQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c25-17-11-16-12-22(24(29)27-8-2-1-3-9-27)30-23(16)20(13-17)18-6-7-26-21-10-15(14-28)4-5-19(18)21/h4-7,10-11,13,22,28H,1-3,8-9,12,14H2.
What are the key properties of [5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone has a molecular weight of 422.91 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 157311463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).