N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide

C21H20FN3O4 — CID 162642847

IUPACN-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Oc2cc(=O)[nH]c3ccccc23)c(F)c1
InChIInChI=1S/C21H20FN3O4/c22-16-11-14(23-21(27)13-25-7-9-28-10-8-25)5-6-18(16)29-19-12-20(26)24-17-4-2-1-3-15(17)19/h1-6,11-12H,7-10,13H2,(H,23,27)(H,24,26)
InChIKeyMJNMDOUZTHSJHE-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.73
Rot. Bonds5

About N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide

N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 162642847) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide
PubChem CID162642847
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC NameN-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Oc2cc(=O)[nH]c3ccccc23)c(F)c1
InChIInChI=1S/C21H20FN3O4/c22-16-11-14(23-21(27)13-25-7-9-28-10-8-25)5-6-18(16)29-19-12-20(26)24-17-4-2-1-3-15(17)19/h1-6,11-12H,7-10,13H2,(H,23,27)(H,24,26)
InChIKeyMJNMDOUZTHSJHE-UHFFFAOYSA-N
XLogP2.73
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide (CID 162642847) is N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(Oc2cc(=O)[nH]c3ccccc23)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is MJNMDOUZTHSJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c22-16-11-14(23-21(27)13-25-7-9-28-10-8-25)5-6-18(16)29-19-12-20(26)24-17-4-2-1-3-15(17)19/h1-6,11-12H,7-10,13H2,(H,23,27)(H,24,26).
What are the key properties of N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide?
N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 397.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 162642847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).