N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide

C17H22N2O2 — CID 137259494

IUPACN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)CC(C)(C)C)C=C2NC1=O
InChIInChI=1S/C17H22N2O2/c1-10-11(2)16(21)19-14-8-12(6-7-13(10)14)18-15(20)9-17(3,4)5/h6-8,13H,9H2,1-5H3,(H,19,21)/b18-12+
InChIKeyDHPYFTGLEJLYEF-LDADJPATSA-N
MW286.38 g/mol
LogP2.93
Rot. Bonds1

About N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide (PubChem CID 137259494) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide
PubChem CID137259494
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)CC(C)(C)C)C=C2NC1=O
InChIInChI=1S/C17H22N2O2/c1-10-11(2)16(21)19-14-8-12(6-7-13(10)14)18-15(20)9-17(3,4)5/h6-8,13H,9H2,1-5H3,(H,19,21)/b18-12+
InChIKeyDHPYFTGLEJLYEF-LDADJPATSA-N
XLogP2.93
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.93
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-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide?
The IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide (CID 137259494) is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide is CC1=C(C)C2C=C/C(=N\C(=O)CC(C)(C)C)C=C2NC1=O.
What is the InChIKey of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide?
The InChIKey is DHPYFTGLEJLYEF-LDADJPATSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-11(2)16(21)19-14-8-12(6-7-13(10)14)18-15(20)9-17(3,4)5/h6-8,13H,9H2,1-5H3,(H,19,21)/b18-12+.
What are the key properties of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide?
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide has a molecular weight of 286.38 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-3,3-dimethylbutanamide is sourced from PubChem (CID 137259494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).