N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide

C19H22N4O2S — CID 137259855

IUPACN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)/N=C1\C=CC2C(=C1)NC(=O)C=C2C(C)(C)C
InChIInChI=1S/C19H22N4O2S/c1-5-6-14-17(26-23-22-14)18(25)20-11-7-8-12-13(19(2,3)4)10-16(24)21-15(12)9-11/h7-10,12H,5-6H2,1-4H3,(H,21,24)/b20-11+
InChIKeyVFWKNKXYJFYNDL-RGVLZGJSSA-N
MW370.48 g/mol
LogP3.24
Rot. Bonds3

About N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide

N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide (PubChem CID 137259855) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide
PubChem CID137259855
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)/N=C1\C=CC2C(=C1)NC(=O)C=C2C(C)(C)C
InChIInChI=1S/C19H22N4O2S/c1-5-6-14-17(26-23-22-14)18(25)20-11-7-8-12-13(19(2,3)4)10-16(24)21-15(12)9-11/h7-10,12H,5-6H2,1-4H3,(H,21,24)/b20-11+
InChIKeyVFWKNKXYJFYNDL-RGVLZGJSSA-N
XLogP3.24
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-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 N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide (CID 137259855) is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)/N=C1\C=CC2C(=C1)NC(=O)C=C2C(C)(C)C.
What is the InChIKey of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide?
The InChIKey is VFWKNKXYJFYNDL-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-5-6-14-17(26-23-22-14)18(25)20-11-7-8-12-13(19(2,3)4)10-16(24)21-15(12)9-11/h7-10,12H,5-6H2,1-4H3,(H,21,24)/b20-11+.
What are the key properties of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide?
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 137259855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).