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

C14H16N2O2 — CID 137259156

IUPACN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCCCC(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1
InChIInChI=1S/C14H16N2O2/c1-3-4-13(17)15-10-5-6-11-9(2)7-14(18)16-12(11)8-10/h5-8,11H,3-4H2,1-2H3,(H,16,18)/b15-10+
InChIKeyJNPDNEOQVMETOM-XNTDXEJSSA-N
MW244.29 g/mol
LogP1.90
Rot. Bonds2

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

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide (PubChem CID 137259156) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
PubChem CID137259156
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCCCC(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1
InChIInChI=1S/C14H16N2O2/c1-3-4-13(17)15-10-5-6-11-9(2)7-14(18)16-12(11)8-10/h5-8,11H,3-4H2,1-2H3,(H,16,18)/b15-10+
InChIKeyJNPDNEOQVMETOM-XNTDXEJSSA-N
XLogP1.90
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.90
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
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-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259159
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 N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide (CID 137259156) is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The canonical SMILES for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide is CCCC(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1.
What is the InChIKey of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The InChIKey is JNPDNEOQVMETOM-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-4-13(17)15-10-5-6-11-9(2)7-14(18)16-12(11)8-10/h5-8,11H,3-4H2,1-2H3,(H,16,18)/b15-10+.
What are the key properties of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide has a molecular weight of 244.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide is sourced from PubChem (CID 137259156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).