N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide

C20H20N2O4 — CID 4526694

IUPACN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide
SMILESCOc1ccc2cc(CCNC(=O)COc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C20H20N2O4/c1-25-17-8-7-14-11-15(20(24)22-18(14)12-17)9-10-21-19(23)13-26-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyMYKGRTSYDNPXET-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide

N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide (PubChem CID 4526694) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide
PubChem CID4526694
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide
SMILESCOc1ccc2cc(CCNC(=O)COc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C20H20N2O4/c1-25-17-8-7-14-11-15(20(24)22-18(14)12-17)9-10-21-19(23)13-26-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyMYKGRTSYDNPXET-UHFFFAOYSA-N
XLogP2.27
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide (CID 4526694) is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide is COc1ccc2cc(CCNC(=O)COc3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is MYKGRTSYDNPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-17-8-7-14-11-15(20(24)22-18(14)12-17)9-10-21-19(23)13-26-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide?
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 352.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 4526694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).