2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C25H21F3N4O2 — CID 10162038

IUPAC2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)19-15-21(31-11-13-34-14-12-31)30-24-23(19)20(33)16-22(29-17-7-3-1-4-8-17)32(24)18-9-5-2-6-10-18/h1-10,15-16,29H,11-14H2
InChIKeyCUPCGRKHOAWCTI-UHFFFAOYSA-N
MW466.46 g/mol
LogP4.98
Rot. Bonds4

About 2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10162038) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is 2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10162038
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC Name2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)19-15-21(31-11-13-34-14-12-31)30-24-23(19)20(33)16-22(29-17-7-3-1-4-8-17)32(24)18-9-5-2-6-10-18/h1-10,15-16,29H,11-14H2
InChIKeyCUPCGRKHOAWCTI-UHFFFAOYSA-N
XLogP4.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
N-[3-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86296701
N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86297089
N-[3-(2-amino-6-morpholin-4-ylpyridin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86297477
3-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86298095
3-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-methylphenyl]benzamide
CID 90461177
2-(4-morpholinyl)-N-[3-(trifluoromethyl)phenyl]nicotinamide
CID 2842959
2-Phenyl-7-piperidin-1-yl-[1,8]naphthyridin-4-ol
CID 11289724
7-Morpholin-4-yl-2-phenyl-[1,8]naphthyridin-4-ol
CID 11312833
7-Cyclohexylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 11415926

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10162038) is 2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is CUPCGRKHOAWCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c26-25(27,28)19-15-21(31-11-13-34-14-12-31)30-24-23(19)20(33)16-22(29-17-7-3-1-4-8-17)32(24)18-9-5-2-6-10-18/h1-10,15-16,29H,11-14H2.
What are the key properties of 2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 466.46 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10162038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).