3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide

C20H26N2O2 — CID 137259327

IUPAC3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCC3)C=CC12
InChIInChI=1S/C20H26N2O2/c1-2-5-15-12-20(24)22-18-13-16(9-10-17(15)18)21-19(23)11-8-14-6-3-4-7-14/h9-10,12-14,17H,2-8,11H2,1H3,(H,22,24)/b21-16+
InChIKeyNLRIJFPANOLIMV-LTGZKZEYSA-N
MW326.44 g/mol
LogP3.85
Rot. Bonds5

About 3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide

3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259327) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259327
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCC3)C=CC12
InChIInChI=1S/C20H26N2O2/c1-2-5-15-12-20(24)22-18-13-16(9-10-17(15)18)21-19(23)11-8-14-6-3-4-7-14/h9-10,12-14,17H,2-8,11H2,1H3,(H,22,24)/b21-16+
InChIKeyNLRIJFPANOLIMV-LTGZKZEYSA-N
XLogP3.85
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 123357744
CID 123357744
CID 126422201
CID 126422201
CID 126422202
CID 126422202
CID 137259158
CID 137259158
CID 137259161
CID 137259161
CID 137259162
CID 137259162
CID 137259163
CID 137259163
CID 137259164
CID 137259164
CID 137259165
CID 137259165
CID 137259166
CID 137259166
CID 137259167
CID 137259167
CID 137259168
CID 137259168

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259327) is 3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide is CCCC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCC3)C=CC12.
What is the InChIKey of 3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is NLRIJFPANOLIMV-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-5-15-12-20(24)22-18-13-16(9-10-17(15)18)21-19(23)11-8-14-6-3-4-7-14/h9-10,12-14,17H,2-8,11H2,1H3,(H,22,24)/b21-16+.
What are the key properties of 3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).