8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one

C25H21F3N4O2 — CID 58093993

IUPAC8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(-c2cccc(C(F)(F)F)c2)c2ccnc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)17-3-1-2-16(14-17)21-15-30-24(33)22-20(21)8-9-29-23(22)31-18-4-6-19(7-5-18)32-10-12-34-13-11-32/h1-9,14-15H,10-13H2,(H,29,31)(H,30,33)
InChIKeyOHGPNTIZARZNQL-UHFFFAOYSA-N
MW466.46 g/mol
LogP5.19
Rot. Bonds4

About 8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one

8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one (PubChem CID 58093993) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is 8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one
PubChem CID58093993
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC Name8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]cc(-c2cccc(C(F)(F)F)c2)c2ccnc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)17-3-1-2-16(14-17)21-15-30-24(33)22-20(21)8-9-29-23(22)31-18-4-6-19(7-5-18)32-10-12-34-13-11-32/h1-9,14-15H,10-13H2,(H,29,31)(H,30,33)
InChIKeyOHGPNTIZARZNQL-UHFFFAOYSA-N
XLogP5.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.46
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethane;8-(4-morpholin-4-ylanilino)-4-[4-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one
CID 143841169
N-methyl-4-[8-(4-morpholin-4-ylanilino)-1-oxo-2H-2,7-naphthyridin-4-yl]benzamide
CID 66886982
6-(4-ethylpiperazin-1-yl)-8-(4-morpholin-4-ylanilino)-4-[4-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one
CID 58094600
N-(4-morpholin-4-ylphenyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138160
5-[4-(aminomethyl)phenyl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094662
4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 170009427
N-(4-morpholin-4-ylphenyl)-4-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]phthalazin-1-amine
CID 164617608
7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870849
2-(4-morpholin-4-ylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092220
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889

Frequently Asked Questions

What is the IUPAC name of 8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one (CID 58093993) is 8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one is O=c1[nH]cc(-c2cccc(C(F)(F)F)c2)c2ccnc(Nc3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one?
The InChIKey is OHGPNTIZARZNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c26-25(27,28)17-3-1-2-16(14-17)21-15-30-24(33)22-20(21)8-9-29-23(22)31-18-4-6-19(7-5-18)32-10-12-34-13-11-32/h1-9,14-15H,10-13H2,(H,29,31)(H,30,33).
What are the key properties of 8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one?
8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one has a molecular weight of 466.46 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-morpholin-4-ylanilino)-4-[3-(trifluoromethyl)phenyl]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).