3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C20H25N3O2 — CID 75426751

IUPAC3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCc1ccc2c(c1)N(C(=O)CCc1nnc(C3CCCC3)o1)CCC2
InChIInChI=1S/C20H25N3O2/c1-14-8-9-15-7-4-12-23(17(15)13-14)19(24)11-10-18-21-22-20(25-18)16-5-2-3-6-16/h8-9,13,16H,2-7,10-12H2,1H3
InChIKeyNZVGGLJDMFOVEK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.95
Rot. Bonds4

About 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 75426751) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID75426751
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCc1ccc2c(c1)N(C(=O)CCc1nnc(C3CCCC3)o1)CCC2
InChIInChI=1S/C20H25N3O2/c1-14-8-9-15-7-4-12-23(17(15)13-14)19(24)11-10-18-21-22-20(25-18)16-5-2-3-6-16/h8-9,13,16H,2-7,10-12H2,1H3
InChIKeyNZVGGLJDMFOVEK-UHFFFAOYSA-N
XLogP3.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-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

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110333640
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 119783373
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 134030103
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(5-methyl-1,3-oxazol-2-yl)propanamide
CID 167880755
1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 127471651
2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976101
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120793074
2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19591085
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 119951464
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62211207
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 75426751) is 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is Cc1ccc2c(c1)N(C(=O)CCc1nnc(C3CCCC3)o1)CCC2.
What is the InChIKey of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is NZVGGLJDMFOVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-8-9-15-7-4-12-23(17(15)13-14)19(24)11-10-18-21-22-20(25-18)16-5-2-3-6-16/h8-9,13,16H,2-7,10-12H2,1H3.
What are the key properties of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 75426751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).