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

C15H18N2O2 — CID 137259694

IUPACN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCC(=O)/N=C1\C=CC2C(=C1)NC(=O)C=C2C(C)(C)C
InChIInChI=1S/C15H18N2O2/c1-9(18)16-10-5-6-11-12(15(2,3)4)8-14(19)17-13(11)7-10/h5-8,11H,1-4H3,(H,17,19)/b16-10+
InChIKeyKKEYTOIRWPQJOA-MHWRWJLKSA-N
MW258.32 g/mol
LogP2.15
Rot. Bonds

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

N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259694) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259694
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCC(=O)/N=C1\C=CC2C(=C1)NC(=O)C=C2C(C)(C)C
InChIInChI=1S/C15H18N2O2/c1-9(18)16-10-5-6-11-12(15(2,3)4)8-14(19)17-13(11)7-10/h5-8,11H,1-4H3,(H,17,19)/b16-10+
InChIKeyKKEYTOIRWPQJOA-MHWRWJLKSA-N
XLogP2.15
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.15
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)acetamide?
The IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259694) is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is CC(=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)acetamide?
The InChIKey is KKEYTOIRWPQJOA-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(18)16-10-5-6-11-12(15(2,3)4)8-14(19)17-13(11)7-10/h5-8,11H,1-4H3,(H,17,19)/b16-10+.
What are the key properties of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.15, 0 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)acetamide is sourced from PubChem (CID 137259694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).