4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide

C23H32N2O2 — CID 137259332

IUPAC4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)/N=C2\C=CC3C(CCC)=CC(=O)NC3=C2)CC1
InChIInChI=1S/C23H32N2O2/c1-3-5-7-16-8-10-17(11-9-16)23(27)24-19-12-13-20-18(6-4-2)14-22(26)25-21(20)15-19/h12-17,20H,3-11H2,1-2H3,(H,25,26)/b24-19+
InChIKeyTYISYFGKQKGOGN-LYBHJNIJSA-N
MW368.52 g/mol
LogP4.88
Rot. Bonds6

About 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide

4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide (PubChem CID 137259332) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide
PubChem CID137259332
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)/N=C2\C=CC3C(CCC)=CC(=O)NC3=C2)CC1
InChIInChI=1S/C23H32N2O2/c1-3-5-7-16-8-10-17(11-9-16)23(27)24-19-12-13-20-18(6-4-2)14-22(26)25-21(20)15-19/h12-17,20H,3-11H2,1-2H3,(H,25,26)/b24-19+
InChIKeyTYISYFGKQKGOGN-LYBHJNIJSA-N
XLogP4.88
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide 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 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide (CID 137259332) is 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)/N=C2\C=CC3C(CCC)=CC(=O)NC3=C2)CC1.
What is the InChIKey of 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide?
The InChIKey is TYISYFGKQKGOGN-LYBHJNIJSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-5-7-16-8-10-17(11-9-16)23(27)24-19-12-13-20-18(6-4-2)14-22(26)25-21(20)15-19/h12-17,20H,3-11H2,1-2H3,(H,25,26)/b24-19+.
What are the key properties of 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide?
4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide is sourced from PubChem (CID 137259332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).