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

C15H16N2O2 — CID 137259279

IUPACN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C3CCC3)C=CC12
InChIInChI=1S/C15H16N2O2/c1-9-7-14(18)17-13-8-11(5-6-12(9)13)16-15(19)10-3-2-4-10/h5-8,10,12H,2-4H2,1H3,(H,17,18)/b16-11+
InChIKeyIYXPCGUPIPQKIV-LFIBNONCSA-N
MW256.31 g/mol
LogP1.90
Rot. Bonds1

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

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide (PubChem CID 137259279) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide
PubChem CID137259279
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C3CCC3)C=CC12
InChIInChI=1S/C15H16N2O2/c1-9-7-14(18)17-13-8-11(5-6-12(9)13)16-15(19)10-3-2-4-10/h5-8,10,12H,2-4H2,1H3,(H,17,18)/b16-11+
InChIKeyIYXPCGUPIPQKIV-LFIBNONCSA-N
XLogP1.90
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
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

2-methyl-N-(2-methyl-4a,5-dihydroquinolin-6-yl)prop-2-enamide
CID 164030875
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-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
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
CID 137259164
2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259165

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide?
The IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide (CID 137259279) is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide?
The canonical SMILES for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide is CC1=CC(=O)NC2=C/C(=N/C(=O)C3CCC3)C=CC12.
What is the InChIKey of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide?
The InChIKey is IYXPCGUPIPQKIV-LFIBNONCSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-7-14(18)17-13-8-11(5-6-12(9)13)16-15(19)10-3-2-4-10/h5-8,10,12H,2-4H2,1H3,(H,17,18)/b16-11+.
What are the key properties of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide?
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclobutanecarboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.90, 1 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)cyclobutanecarboxamide is sourced from PubChem (CID 137259279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).