5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide

C18H17N3O3 — CID 137260201

IUPAC5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide
SMILESCCC1=CC(=O)NC2=C/C(=N/C(=O)c3cc(C4CC4)on3)C=CC12
InChIInChI=1S/C18H17N3O3/c1-2-10-7-17(22)20-14-8-12(5-6-13(10)14)19-18(23)15-9-16(24-21-15)11-3-4-11/h5-9,11,13H,2-4H2,1H3,(H,20,22)/b19-12+
InChIKeyOBHFYCGGZZWEEM-XDHOZWIPSA-N
MW323.35 g/mol
LogP2.67
Rot. Bonds3

About 5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide (PubChem CID 137260201) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide
PubChem CID137260201
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide
SMILESCCC1=CC(=O)NC2=C/C(=N/C(=O)c3cc(C4CC4)on3)C=CC12
InChIInChI=1S/C18H17N3O3/c1-2-10-7-17(22)20-14-8-12(5-6-13(10)14)19-18(23)15-9-16(24-21-15)11-3-4-11/h5-9,11,13H,2-4H2,1H3,(H,20,22)/b19-12+
InChIKeyOBHFYCGGZZWEEM-XDHOZWIPSA-N
XLogP2.67
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide (CID 137260201) is 5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide is CCC1=CC(=O)NC2=C/C(=N/C(=O)c3cc(C4CC4)on3)C=CC12.
What is the InChIKey of 5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide?
The InChIKey is OBHFYCGGZZWEEM-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-10-7-17(22)20-14-8-12(5-6-13(10)14)19-18(23)15-9-16(24-21-15)11-3-4-11/h5-9,11,13H,2-4H2,1H3,(H,20,22)/b19-12+.
What are the key properties of 5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 137260201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).