3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one

C22H19ClF3N3O3 — CID 88901375

IUPAC3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one
SMILESC=C(F)c1c(-c2c(O)c3ncccc3n(CC(F)F)c2=O)cc(Cl)cc1N1CCOCC1
InChIInChI=1S/C22H19ClF3N3O3/c1-12(24)18-14(9-13(23)10-16(18)28-5-7-32-8-6-28)19-21(30)20-15(3-2-4-27-20)29(22(19)31)11-17(25)26/h2-4,9-10,17,30H,1,5-8,11H2
InChIKeyGMAPPCNOTSKWKX-UHFFFAOYSA-N
MW465.86 g/mol
LogP4.46
Rot. Bonds5

About 3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one

3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one (PubChem CID 88901375) has the molecular formula C22H19ClF3N3O3 and a molecular weight of 465.86 g/mol. Its IUPAC name is 3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one
PubChem CID88901375
Molecular FormulaC22H19ClF3N3O3
Molecular Weight465.86 g/mol
Exact Mass465.11
IUPAC Name3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one
SMILESC=C(F)c1c(-c2c(O)c3ncccc3n(CC(F)F)c2=O)cc(Cl)cc1N1CCOCC1
InChIInChI=1S/C22H19ClF3N3O3/c1-12(24)18-14(9-13(23)10-16(18)28-5-7-32-8-6-28)19-21(30)20-15(3-2-4-27-20)29(22(19)31)11-17(25)26/h2-4,9-10,17,30H,1,5-8,11H2
InChIKeyGMAPPCNOTSKWKX-UHFFFAOYSA-N
XLogP4.46
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one?
The IUPAC name of 3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one (CID 88901375) is 3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one?
The canonical SMILES for 3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one is C=C(F)c1c(-c2c(O)c3ncccc3n(CC(F)F)c2=O)cc(Cl)cc1N1CCOCC1.
What is the InChIKey of 3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one?
The InChIKey is GMAPPCNOTSKWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3/c1-12(24)18-14(9-13(23)10-16(18)28-5-7-32-8-6-28)19-21(30)20-15(3-2-4-27-20)29(22(19)31)11-17(25)26/h2-4,9-10,17,30H,1,5-8,11H2.
What are the key properties of 3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one?
3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one has a molecular weight of 465.86 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 88901375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).