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

C17H20N2O2 — CID 137259164

IUPACN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C3CCCCC3)C=CC12
InChIInChI=1S/C17H20N2O2/c1-11-9-16(20)19-15-10-13(7-8-14(11)15)18-17(21)12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3,(H,19,20)/b18-13+
InChIKeyOKGGJJMVVSKOKT-QGOAFFKASA-N
MW284.36 g/mol
LogP2.68
Rot. Bonds1

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

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide (PubChem CID 137259164) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
PubChem CID137259164
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C3CCCCC3)C=CC12
InChIInChI=1S/C17H20N2O2/c1-11-9-16(20)19-15-10-13(7-8-14(11)15)18-17(21)12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3,(H,19,20)/b18-13+
InChIKeyOKGGJJMVVSKOKT-QGOAFFKASA-N
XLogP2.68
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.68
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)cyclohexanecarboxamide?
The IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide (CID 137259164) is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
The canonical SMILES for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide is CC1=CC(=O)NC2=C/C(=N/C(=O)C3CCCCC3)C=CC12.
What is the InChIKey of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
The InChIKey is OKGGJJMVVSKOKT-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-9-16(20)19-15-10-13(7-8-14(11)15)18-17(21)12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3,(H,19,20)/b18-13+.
What are the key properties of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.68, 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)cyclohexanecarboxamide is sourced from PubChem (CID 137259164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).