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

C20H18Cl2N2O2 — CID 137259756

IUPACN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide
SMILESCC(C)(C)C1=CC(=O)NC2=C/C(=N/C(=O)c3cc(Cl)ccc3Cl)C=CC21
InChIInChI=1S/C20H18Cl2N2O2/c1-20(2,3)15-10-18(25)24-17-9-12(5-6-13(15)17)23-19(26)14-8-11(21)4-7-16(14)22/h4-10,13H,1-3H3,(H,24,25)/b23-12+
InChIKeyNQOVNFUWHPSXAN-FSJBWODESA-N
MW389.28 g/mol
LogP4.75
Rot. Bonds1

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

N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide (PubChem CID 137259756) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide
PubChem CID137259756
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide
SMILESCC(C)(C)C1=CC(=O)NC2=C/C(=N/C(=O)c3cc(Cl)ccc3Cl)C=CC21
InChIInChI=1S/C20H18Cl2N2O2/c1-20(2,3)15-10-18(25)24-17-9-12(5-6-13(15)17)23-19(26)14-8-11(21)4-7-16(14)22/h4-10,13H,1-3H3,(H,24,25)/b23-12+
InChIKeyNQOVNFUWHPSXAN-FSJBWODESA-N
XLogP4.75
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.75
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-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide?
The IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide (CID 137259756) is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide.
What is the SMILES notation for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide?
The canonical SMILES for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide is CC(C)(C)C1=CC(=O)NC2=C/C(=N/C(=O)c3cc(Cl)ccc3Cl)C=CC21.
What is the InChIKey of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide?
The InChIKey is NQOVNFUWHPSXAN-FSJBWODESA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-20(2,3)15-10-18(25)24-17-9-12(5-6-13(15)17)23-19(26)14-8-11(21)4-7-16(14)22/h4-10,13H,1-3H3,(H,24,25)/b23-12+.
What are the key properties of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide?
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide has a molecular weight of 389.28 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide is sourced from PubChem (CID 137259756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).