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

C16H20N2O2 — CID 137259385

IUPACN-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide
SMILESCCC1=C(C)C2C=C/C(=N\C(=O)C(C)C)C=C2NC1=O
InChIInChI=1S/C16H20N2O2/c1-5-12-10(4)13-7-6-11(17-15(19)9(2)3)8-14(13)18-16(12)20/h6-9,13H,5H2,1-4H3,(H,18,20)/b17-11+
InChIKeyBDYBYZWBLXMEKQ-GZTJUZNOSA-N
MW272.35 g/mol
LogP2.54
Rot. Bonds2

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

N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide (PubChem CID 137259385) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide
PubChem CID137259385
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide
SMILESCCC1=C(C)C2C=C/C(=N\C(=O)C(C)C)C=C2NC1=O
InChIInChI=1S/C16H20N2O2/c1-5-12-10(4)13-7-6-11(17-15(19)9(2)3)8-14(13)18-16(12)20/h6-9,13H,5H2,1-4H3,(H,18,20)/b17-11+
InChIKeyBDYBYZWBLXMEKQ-GZTJUZNOSA-N
XLogP2.54
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide?
The IUPAC name of N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide (CID 137259385) is N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide.
What is the SMILES notation for N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide?
The canonical SMILES for N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide is CCC1=C(C)C2C=C/C(=N\C(=O)C(C)C)C=C2NC1=O.
What is the InChIKey of N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide?
The InChIKey is BDYBYZWBLXMEKQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-12-10(4)13-7-6-11(17-15(19)9(2)3)8-14(13)18-16(12)20/h6-9,13H,5H2,1-4H3,(H,18,20)/b17-11+.
What are the key properties of N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide?
N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide is sourced from PubChem (CID 137259385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).