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

C19H24N2O2 — CID 137259325

IUPACN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C3CCCCC3)C=CC12
InChIInChI=1S/C19H24N2O2/c1-2-6-14-11-18(22)21-17-12-15(9-10-16(14)17)20-19(23)13-7-4-3-5-8-13/h9-13,16H,2-8H2,1H3,(H,21,22)/b20-15+
InChIKeyCEHMENGFCVVWOE-HMMYKYKNSA-N
MW312.41 g/mol
LogP3.46
Rot. Bonds3

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

N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide (PubChem CID 137259325) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
PubChem CID137259325
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C3CCCCC3)C=CC12
InChIInChI=1S/C19H24N2O2/c1-2-6-14-11-18(22)21-17-12-15(9-10-16(14)17)20-19(23)13-7-4-3-5-8-13/h9-13,16H,2-8H2,1H3,(H,21,22)/b20-15+
InChIKeyCEHMENGFCVVWOE-HMMYKYKNSA-N
XLogP3.46
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
The IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide (CID 137259325) is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
The canonical SMILES for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide is CCCC1=CC(=O)NC2=C/C(=N/C(=O)C3CCCCC3)C=CC12.
What is the InChIKey of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
The InChIKey is CEHMENGFCVVWOE-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-6-14-11-18(22)21-17-12-15(9-10-16(14)17)20-19(23)13-7-4-3-5-8-13/h9-13,16H,2-8H2,1H3,(H,21,22)/b20-15+.
What are the key properties of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide?
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide is sourced from PubChem (CID 137259325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).