6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one

C23H23NO2 — CID 25141259

IUPAC6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one
SMILESO=C(CC1CCCC1)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
InChIInChI=1S/C23H23NO2/c25-22(14-17-8-4-5-9-17)20-15-24-21-11-10-18(13-19(21)23(20)26)12-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,15,17H,4-5,8-9,12,14H2,(H,24,26)
InChIKeyDHWTVCHLMXAWGK-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.88
Rot. Bonds5

About 6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one

6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one (PubChem CID 25141259) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one
PubChem CID25141259
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one
SMILESO=C(CC1CCCC1)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
InChIInChI=1S/C23H23NO2/c25-22(14-17-8-4-5-9-17)20-15-24-21-11-10-18(13-19(21)23(20)26)12-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,15,17H,4-5,8-9,12,14H2,(H,24,26)
InChIKeyDHWTVCHLMXAWGK-UHFFFAOYSA-N
XLogP4.88
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one?
The IUPAC name of 6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one (CID 25141259) is 6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one?
The canonical SMILES for 6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one is O=C(CC1CCCC1)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O.
What is the InChIKey of 6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one?
The InChIKey is DHWTVCHLMXAWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-22(14-17-8-4-5-9-17)20-15-24-21-11-10-18(13-19(21)23(20)26)12-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,15,17H,4-5,8-9,12,14H2,(H,24,26).
What are the key properties of 6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one?
6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one has a molecular weight of 345.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-(2-cyclopentylacetyl)-1H-quinolin-4-one is sourced from PubChem (CID 25141259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).