ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate

C15H18N2O3 — CID 137259348

IUPACethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate
SMILESCCCC1=CC(=O)NC2=C/C(=N\C(=O)OCC)C=CC12
InChIInChI=1S/C15H18N2O3/c1-3-5-10-8-14(18)17-13-9-11(6-7-12(10)13)16-15(19)20-4-2/h6-9,12H,3-5H2,1-2H3,(H,17,18)/b16-11-
InChIKeyIZTWEHWPAJVWGU-WJDWOHSUSA-N
MW274.32 g/mol
LogP2.51
Rot. Bonds3

About ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate

ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate (PubChem CID 137259348) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate
PubChem CID137259348
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate
SMILESCCCC1=CC(=O)NC2=C/C(=N\C(=O)OCC)C=CC12
InChIInChI=1S/C15H18N2O3/c1-3-5-10-8-14(18)17-13-9-11(6-7-12(10)13)16-15(19)20-4-2/h6-9,12H,3-5H2,1-2H3,(H,17,18)/b16-11-
InChIKeyIZTWEHWPAJVWGU-WJDWOHSUSA-N
XLogP2.51
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 137259157
CID 137259157
CID 137259158
CID 137259158
CID 137259162
CID 137259162
CID 137259249
CID 137259249
CID 137259299
CID 137259299
CID 137259302
CID 137259302
CID 137259313
CID 137259313
CID 137259314
CID 137259314
CID 137259315
CID 137259315
CID 137259316
CID 137259316
CID 137259317
CID 137259317
CID 137259318
CID 137259318

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate?
The IUPAC name of ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate (CID 137259348) is ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate.
What is the SMILES notation for ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate?
The canonical SMILES for ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate is CCCC1=CC(=O)NC2=C/C(=N\C(=O)OCC)C=CC12.
What is the InChIKey of ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate?
The InChIKey is IZTWEHWPAJVWGU-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-5-10-8-14(18)17-13-9-11(6-7-12(10)13)16-15(19)20-4-2/h6-9,12H,3-5H2,1-2H3,(H,17,18)/b16-11-.
What are the key properties of ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate?
ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate has a molecular weight of 274.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)carbamate is sourced from PubChem (CID 137259348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).