3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one

C22H20ClF4N3O3 — CID 123391344

IUPAC3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one
SMILESCC(F)Cn1c(=O)c(-c2cc(Cl)cc(N3CCOCC3)c2C(F)(F)F)c(O)c2ncccc21
InChIInChI=1S/C22H20ClF4N3O3/c1-12(24)11-30-15-3-2-4-28-19(15)20(31)17(21(30)32)14-9-13(23)10-16(18(14)22(25,26)27)29-5-7-33-8-6-29/h2-4,9-10,12,31H,5-8,11H2,1H3
InChIKeyITIOYBHBGLFUIX-UHFFFAOYSA-N
MW485.87 g/mol
LogP4.64
Rot. Bonds4

About 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one

3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one (PubChem CID 123391344) has the molecular formula C22H20ClF4N3O3 and a molecular weight of 485.87 g/mol. Its IUPAC name is 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one
PubChem CID123391344
Molecular FormulaC22H20ClF4N3O3
Molecular Weight485.87 g/mol
Exact Mass485.11
IUPAC Name3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one
SMILESCC(F)Cn1c(=O)c(-c2cc(Cl)cc(N3CCOCC3)c2C(F)(F)F)c(O)c2ncccc21
InChIInChI=1S/C22H20ClF4N3O3/c1-12(24)11-30-15-3-2-4-28-19(15)20(31)17(21(30)32)14-9-13(23)10-16(18(14)22(25,26)27)29-5-7-33-8-6-29/h2-4,9-10,12,31H,5-8,11H2,1H3
InChIKeyITIOYBHBGLFUIX-UHFFFAOYSA-N
XLogP4.64
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one?
The IUPAC name of 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one (CID 123391344) is 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one?
The canonical SMILES for 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one is CC(F)Cn1c(=O)c(-c2cc(Cl)cc(N3CCOCC3)c2C(F)(F)F)c(O)c2ncccc21.
What is the InChIKey of 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one?
The InChIKey is ITIOYBHBGLFUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF4N3O3/c1-12(24)11-30-15-3-2-4-28-19(15)20(31)17(21(30)32)14-9-13(23)10-16(18(14)22(25,26)27)29-5-7-33-8-6-29/h2-4,9-10,12,31H,5-8,11H2,1H3.
What are the key properties of 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one?
3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one has a molecular weight of 485.87 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 123391344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).