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

C15H18N2O3 — CID 137260062

IUPACethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate
SMILESCCOC(=O)/N=C1/C=CC2C(=C1)NC(=O)C=C2C(C)C
InChIInChI=1S/C15H18N2O3/c1-4-20-15(19)16-10-5-6-11-12(9(2)3)8-14(18)17-13(11)7-10/h5-9,11H,4H2,1-3H3,(H,17,18)/b16-10-
InChIKeyRMBVPDKFXBKHHW-YBEGLDIGSA-N
MW274.32 g/mol
LogP2.37
Rot. Bonds2

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

ethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate (PubChem CID 137260062) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate
PubChem CID137260062
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate
SMILESCCOC(=O)/N=C1/C=CC2C(=C1)NC(=O)C=C2C(C)C
InChIInChI=1S/C15H18N2O3/c1-4-20-15(19)16-10-5-6-11-12(9(2)3)8-14(18)17-13(11)7-10/h5-9,11H,4H2,1-3H3,(H,17,18)/b16-10-
InChIKeyRMBVPDKFXBKHHW-YBEGLDIGSA-N
XLogP2.37
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.37
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

4-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)benzamide
CID 137259984
4-chloro-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259978
5-methyl-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide
CID 137260099
ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate
CID 137260565
N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)-1,3-benzodioxole-5-carboxamide
CID 137259999
N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide
CID 137259385
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
CID 137259322
N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pentanamide
CID 137260140
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259694
4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
CID 137259204
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259295
N-[4-(methoxymethyl)-2-oxo-1,4a-dihydroquinolin-7-ylidene]-3,3-dimethylbutanamide
CID 137259884

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate?
The IUPAC name of ethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate (CID 137260062) is ethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate.
What is the SMILES notation for ethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate?
The canonical SMILES for ethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate is CCOC(=O)/N=C1/C=CC2C(=C1)NC(=O)C=C2C(C)C.
What is the InChIKey of ethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate?
The InChIKey is RMBVPDKFXBKHHW-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-15(19)16-10-5-6-11-12(9(2)3)8-14(18)17-13(11)7-10/h5-9,11H,4H2,1-3H3,(H,17,18)/b16-10-.
What are the key properties of ethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate?
ethyl (NZ)-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate has a molecular weight of 274.32 g/mol, XLogP of 2.37, 2 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-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)carbamate is sourced from PubChem (CID 137260062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).