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

C18H22N2O2 — CID 137259166

IUPAC3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCC3)C=CC12
InChIInChI=1S/C18H22N2O2/c1-12-10-18(22)20-16-11-14(7-8-15(12)16)19-17(21)9-6-13-4-2-3-5-13/h7-8,10-11,13,15H,2-6,9H2,1H3,(H,20,22)/b19-14+
InChIKeyOQPTWBKLNIHEOS-XMHGGMMESA-N
MW298.39 g/mol
LogP3.07
Rot. Bonds3

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

3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259166) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259166
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCC3)C=CC12
InChIInChI=1S/C18H22N2O2/c1-12-10-18(22)20-16-11-14(7-8-15(12)16)19-17(21)9-6-13-4-2-3-5-13/h7-8,10-11,13,15H,2-6,9H2,1H3,(H,20,22)/b19-14+
InChIKeyOQPTWBKLNIHEOS-XMHGGMMESA-N
XLogP3.07
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259166) is 3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is CC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCC3)C=CC12.
What is the InChIKey of 3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is OQPTWBKLNIHEOS-XMHGGMMESA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-10-18(22)20-16-11-14(7-8-15(12)16)19-17(21)9-6-13-4-2-3-5-13/h7-8,10-11,13,15H,2-6,9H2,1H3,(H,20,22)/b19-14+.
What are the key properties of 3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).