N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide

C16H18N2O2 — CID 137259163

IUPACN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C3CCCC3)C=CC12
InChIInChI=1S/C16H18N2O2/c1-10-8-15(19)18-14-9-12(6-7-13(10)14)17-16(20)11-4-2-3-5-11/h6-9,11,13H,2-5H2,1H3,(H,18,19)/b17-12+
InChIKeyRSGHDMBBXVKAFI-SFQUDFHCSA-N
MW270.33 g/mol
LogP2.29
Rot. Bonds1

About N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide (PubChem CID 137259163) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide
PubChem CID137259163
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C3CCCC3)C=CC12
InChIInChI=1S/C16H18N2O2/c1-10-8-15(19)18-14-9-12(6-7-13(10)14)17-16(20)11-4-2-3-5-11/h6-9,11,13H,2-5H2,1H3,(H,18,19)/b17-12+
InChIKeyRSGHDMBBXVKAFI-SFQUDFHCSA-N
XLogP2.29
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.29
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 N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide?
The IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide (CID 137259163) is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide?
The canonical SMILES for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide is CC1=CC(=O)NC2=C/C(=N/C(=O)C3CCCC3)C=CC12.
What is the InChIKey of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide?
The InChIKey is RSGHDMBBXVKAFI-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-8-15(19)18-14-9-12(6-7-13(10)14)17-16(20)11-4-2-3-5-11/h6-9,11,13H,2-5H2,1H3,(H,18,19)/b17-12+.
What are the key properties of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide?
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide is sourced from PubChem (CID 137259163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).