N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide

C19H24N2O2 — CID 137259394

IUPACN-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
SMILESCCC1=C(C)C2C=C/C(=N\C(=O)C3CCCCC3)C=C2NC1=O
InChIInChI=1S/C19H24N2O2/c1-3-15-12(2)16-10-9-14(11-17(16)21-19(15)23)20-18(22)13-7-5-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3,(H,21,23)/b20-14+
InChIKeyKWMDDSSDVPOBNZ-XSFVSMFZSA-N
MW312.41 g/mol
LogP3.46
Rot. Bonds2

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

N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide (PubChem CID 137259394) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
PubChem CID137259394
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
SMILESCCC1=C(C)C2C=C/C(=N\C(=O)C3CCCCC3)C=C2NC1=O
InChIInChI=1S/C19H24N2O2/c1-3-15-12(2)16-10-9-14(11-17(16)21-19(15)23)20-18(22)13-7-5-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3,(H,21,23)/b20-14+
InChIKeyKWMDDSSDVPOBNZ-XSFVSMFZSA-N
XLogP3.46
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
The IUPAC name of N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide (CID 137259394) is N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
The canonical SMILES for N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide is CCC1=C(C)C2C=C/C(=N\C(=O)C3CCCCC3)C=C2NC1=O.
What is the InChIKey of N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
The InChIKey is KWMDDSSDVPOBNZ-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-15-12(2)16-10-9-14(11-17(16)21-19(15)23)20-18(22)13-7-5-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3,(H,21,23)/b20-14+.
What are the key properties of N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide is sourced from PubChem (CID 137259394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).