N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide

C18H24N2O3 — CID 20861941

IUPACN-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide
SMILESCCCCN(C)C(=O)COc1cc(=O)n(CC)c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-4-6-11-19(3)18(22)13-23-16-12-17(21)20(5-2)15-10-8-7-9-14(15)16/h7-10,12H,4-6,11,13H2,1-3H3
InChIKeyKCPZTSCIJYQXET-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.66
Rot. Bonds7

About N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide

N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide (PubChem CID 20861941) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide
PubChem CID20861941
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide
SMILESCCCCN(C)C(=O)COc1cc(=O)n(CC)c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-4-6-11-19(3)18(22)13-23-16-12-17(21)20(5-2)15-10-8-7-9-14(15)16/h7-10,12H,4-6,11,13H2,1-3H3
InChIKeyKCPZTSCIJYQXET-UHFFFAOYSA-N
XLogP2.66
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide?
The IUPAC name of N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide (CID 20861941) is N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide?
The canonical SMILES for N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide is CCCCN(C)C(=O)COc1cc(=O)n(CC)c2ccccc12.
What is the InChIKey of N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide?
The InChIKey is KCPZTSCIJYQXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-6-11-19(3)18(22)13-23-16-12-17(21)20(5-2)15-10-8-7-9-14(15)16/h7-10,12H,4-6,11,13H2,1-3H3.
What are the key properties of N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide?
N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide has a molecular weight of 316.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide is sourced from PubChem (CID 20861941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).