4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide

C20H20N2O2 — CID 137259984

IUPAC4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)C)cc1
InChIInChI=1S/C20H20N2O2/c1-12(2)17-11-19(23)22-18-10-15(8-9-16(17)18)21-20(24)14-6-4-13(3)5-7-14/h4-12,16H,1-3H3,(H,22,23)/b21-15+
InChIKeyLLAZHUCGXMMHOB-RCCKNPSSSA-N
MW320.39 g/mol
LogP3.36
Rot. Bonds2

About 4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide

4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide (PubChem CID 137259984) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide
PubChem CID137259984
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)C)cc1
InChIInChI=1S/C20H20N2O2/c1-12(2)17-11-19(23)22-18-10-15(8-9-16(17)18)21-20(24)14-6-4-13(3)5-7-14/h4-12,16H,1-3H3,(H,22,23)/b21-15+
InChIKeyLLAZHUCGXMMHOB-RCCKNPSSSA-N
XLogP3.36
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.36
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 4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide?
The IUPAC name of 4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide (CID 137259984) is 4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide.
What is the SMILES notation for 4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide?
The canonical SMILES for 4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide is Cc1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)C)cc1.
What is the InChIKey of 4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide?
The InChIKey is LLAZHUCGXMMHOB-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12(2)17-11-19(23)22-18-10-15(8-9-16(17)18)21-20(24)14-6-4-13(3)5-7-14/h4-12,16H,1-3H3,(H,22,23)/b21-15+.
What are the key properties of 4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide?
4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide has a molecular weight of 320.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide is sourced from PubChem (CID 137259984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).