2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide

C17H22N2O2 — CID 137259318

IUPAC2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)(C)C)C=CC12
InChIInChI=1S/C17H22N2O2/c1-5-6-11-9-15(20)19-14-10-12(7-8-13(11)14)18-16(21)17(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,19,20)/b18-12+
InChIKeyFGBDXTFDYXMOHS-LDADJPATSA-N
MW286.38 g/mol
LogP2.93
Rot. Bonds2

About 2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide

2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259318) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259318
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)(C)C)C=CC12
InChIInChI=1S/C17H22N2O2/c1-5-6-11-9-15(20)19-14-10-12(7-8-13(11)14)18-16(21)17(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,19,20)/b18-12+
InChIKeyFGBDXTFDYXMOHS-LDADJPATSA-N
XLogP2.93
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.93
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

CID 164030875
CID 164030875
CID 137258008
CID 137258008
CID 137259156
CID 137259156
CID 137259157
CID 137259157
CID 137259158
CID 137259158
CID 137259159
CID 137259159
CID 137259160
CID 137259160
CID 137259161
CID 137259161
CID 137259162
CID 137259162
CID 137259163
CID 137259163
CID 137259164
CID 137259164
CID 137259165
CID 137259165

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259318) is 2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide is CCCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)(C)C)C=CC12.
What is the InChIKey of 2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is FGBDXTFDYXMOHS-LDADJPATSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-6-11-9-15(20)19-14-10-12(7-8-13(11)14)18-16(21)17(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,19,20)/b18-12+.
What are the key properties of 2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).