ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide

C18H25N3O5 — CID 142374989

IUPACethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide
SMILESCC.CCCc1cc([N+](=O)[O-])cc2cc(OCC(=O)NC)c(=O)n(C)c12
InChIInChI=1S/C16H19N3O5.C2H6/c1-4-5-10-6-12(19(22)23)7-11-8-13(24-9-14(20)17-2)16(21)18(3)15(10)11;1-2/h6-8H,4-5,9H2,1-3H3,(H,17,20);1-2H3
InChIKeyROQUKGUFUFMKPH-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.55
Rot. Bonds6

About ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide

ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide (PubChem CID 142374989) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide
PubChem CID142374989
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Nameethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide
SMILESCC.CCCc1cc([N+](=O)[O-])cc2cc(OCC(=O)NC)c(=O)n(C)c12
InChIInChI=1S/C16H19N3O5.C2H6/c1-4-5-10-6-12(19(22)23)7-11-8-13(24-9-14(20)17-2)16(21)18(3)15(10)11;1-2/h6-8H,4-5,9H2,1-3H3,(H,17,20);1-2H3
InChIKeyROQUKGUFUFMKPH-UHFFFAOYSA-N
XLogP2.55
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide?
The IUPAC name of ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide (CID 142374989) is ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide.
What is the SMILES notation for ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide?
The canonical SMILES for ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide is CC.CCCc1cc([N+](=O)[O-])cc2cc(OCC(=O)NC)c(=O)n(C)c12.
What is the InChIKey of ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide?
The InChIKey is ROQUKGUFUFMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5.C2H6/c1-4-5-10-6-12(19(22)23)7-11-8-13(24-9-14(20)17-2)16(21)18(3)15(10)11;1-2/h6-8H,4-5,9H2,1-3H3,(H,17,20);1-2H3.
What are the key properties of ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide?
ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide has a molecular weight of 363.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(1-methyl-6-nitro-2-oxo-8-propylquinolin-3-yl)oxyacetamide is sourced from PubChem (CID 142374989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).