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

C16H20N2O2 — CID 137259160

IUPAC3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CC(C)(C)C)C=CC12
InChIInChI=1S/C16H20N2O2/c1-10-7-14(19)18-13-8-11(5-6-12(10)13)17-15(20)9-16(2,3)4/h5-8,12H,9H2,1-4H3,(H,18,19)/b17-11+
InChIKeyBWXRSPMKCDALBV-GZTJUZNOSA-N
MW272.35 g/mol
LogP2.54
Rot. Bonds1

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

3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide (PubChem CID 137259160) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
PubChem CID137259160
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CC(C)(C)C)C=CC12
InChIInChI=1S/C16H20N2O2/c1-10-7-14(19)18-13-8-11(5-6-12(10)13)17-15(20)9-16(2,3)4/h5-8,12H,9H2,1-4H3,(H,18,19)/b17-11+
InChIKeyBWXRSPMKCDALBV-GZTJUZNOSA-N
XLogP2.54
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.54
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 3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The IUPAC name of 3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide (CID 137259160) is 3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide is CC1=CC(=O)NC2=C/C(=N/C(=O)CC(C)(C)C)C=CC12.
What is the InChIKey of 3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The InChIKey is BWXRSPMKCDALBV-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-7-14(19)18-13-8-11(5-6-12(10)13)17-15(20)9-16(2,3)4/h5-8,12H,9H2,1-4H3,(H,18,19)/b17-11+.
What are the key properties of 3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide is sourced from PubChem (CID 137259160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).