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

C15H18N2O2 — CID 137259159

IUPAC3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CC(C)C)C=CC12
InChIInChI=1S/C15H18N2O2/c1-9(2)6-14(18)16-11-4-5-12-10(3)7-15(19)17-13(12)8-11/h4-5,7-9,12H,6H2,1-3H3,(H,17,19)/b16-11+
InChIKeyQARZGMHMVXMXFE-LFIBNONCSA-N
MW258.32 g/mol
LogP2.15
Rot. Bonds2

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

3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide (PubChem CID 137259159) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
PubChem CID137259159
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CC(C)C)C=CC12
InChIInChI=1S/C15H18N2O2/c1-9(2)6-14(18)16-11-4-5-12-10(3)7-15(19)17-13(12)8-11/h4-5,7-9,12H,6H2,1-3H3,(H,17,19)/b16-11+
InChIKeyQARZGMHMVXMXFE-LFIBNONCSA-N
XLogP2.15
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-7,8-dihydro-1H-quinoxalin-2-one
CID 129298557
2-methyl-N-(2-methyl-4a,5-dihydroquinolin-6-yl)prop-2-enamide
CID 164030875
2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 136286884
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide
CID 137258008
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259156
2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259157
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pentanamide
CID 137259158
3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259160
2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259161
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
CID 137259162
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide
CID 137259163
(Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide
CID 137259169

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The IUPAC name of 3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide (CID 137259159) is 3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The canonical SMILES for 3-methyl-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=CC12.
What is the InChIKey of 3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The InChIKey is QARZGMHMVXMXFE-LFIBNONCSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)6-14(18)16-11-4-5-12-10(3)7-15(19)17-13(12)8-11/h4-5,7-9,12H,6H2,1-3H3,(H,17,19)/b16-11+.
What are the key properties of 3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide has a molecular weight of 258.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide is sourced from PubChem (CID 137259159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).