6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one

C22H20FN3O3 — CID 121394202

IUPAC6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one
SMILESNc1ccc2c(c1)Cc1ccc(F)c(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2
InChIInChI=1S/C22H20FN3O3/c23-17-3-1-13-9-14-10-15(24)2-4-19(14)29-22(13)21(17)18-11-16(12-20(27)25-18)26-5-7-28-8-6-26/h1-4,10-12H,5-9,24H2,(H,25,27)
InChIKeyPIFFLQIHBFNARU-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.30
Rot. Bonds2

About 6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one

6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121394202) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID121394202
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one
SMILESNc1ccc2c(c1)Cc1ccc(F)c(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2
InChIInChI=1S/C22H20FN3O3/c23-17-3-1-13-9-14-10-15(24)2-4-19(14)29-22(13)21(17)18-11-16(12-20(27)25-18)26-5-7-28-8-6-26/h1-4,10-12H,5-9,24H2,(H,25,27)
InChIKeyPIFFLQIHBFNARU-UHFFFAOYSA-N
XLogP3.30
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one (CID 121394202) is 6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one is Nc1ccc2c(c1)Cc1ccc(F)c(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1O2.
What is the InChIKey of 6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is PIFFLQIHBFNARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-17-3-1-13-9-14-10-15(24)2-4-19(14)29-22(13)21(17)18-11-16(12-20(27)25-18)26-5-7-28-8-6-26/h1-4,10-12H,5-9,24H2,(H,25,27).
What are the key properties of 6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one?
6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 393.42 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121394202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).