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

C22H22N2O2 — CID 25141260

IUPAC3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one
SMILESO=C(CC1CCCC1)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O
InChIInChI=1S/C22H22N2O2/c25-21(12-15-4-1-2-5-15)19-14-24-20-8-7-16(11-18(20)22(19)26)10-17-6-3-9-23-13-17/h3,6-9,11,13-15H,1-2,4-5,10,12H2,(H,24,26)
InChIKeyLHGSGTVATLBNGO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.28
Rot. Bonds5

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

3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one (PubChem CID 25141260) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one
PubChem CID25141260
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one
SMILESO=C(CC1CCCC1)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O
InChIInChI=1S/C22H22N2O2/c25-21(12-15-4-1-2-5-15)19-14-24-20-8-7-16(11-18(20)22(19)26)10-17-6-3-9-23-13-17/h3,6-9,11,13-15H,1-2,4-5,10,12H2,(H,24,26)
InChIKeyLHGSGTVATLBNGO-UHFFFAOYSA-N
XLogP4.28
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Phenylamino)-5,8-quinolinedione
CID 3976
2-Amino-5-(4-fluorophenyl)-3-(pyridin-4-yl)benzamide
CID 16048303
2-Amino-3-phenyl-5-(pyridin-4-yl)benzamide
CID 16048415
N-(2,6-dimethylphenyl)nicotinamide
CID 767628
N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)nicotinamide
CID 44593434
N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 747646
11H-Pyrido(2,1-b)quinazoline-8-carboxamide, 2-(1-methylethyl)-11-oxo-N-(4-(4-pyridinyl)butyl)-, dihydrochloride
CID 24844986
4'-Amino-3-(2-pyridyl)acrylophenone
CID 5354064
3-pentanoyl-6-(pyridin-4-ylmethyl)-1H-quinolin-4-one
CID 44560609
3-pentanoyl-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one
CID 44560610
3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one
CID 44560611
4-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl-(3-methylbut-2-enyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 49836081

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one (CID 25141260) is 3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one is O=C(CC1CCCC1)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O.
What is the InChIKey of 3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one?
The InChIKey is LHGSGTVATLBNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-21(12-15-4-1-2-5-15)19-14-24-20-8-7-16(11-18(20)22(19)26)10-17-6-3-9-23-13-17/h3,6-9,11,13-15H,1-2,4-5,10,12H2,(H,24,26).
What are the key properties of 3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one?
3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one has a molecular weight of 346.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylacetyl)-6-(pyridin-3-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 25141260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).