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

C24H21F3N4O2 — CID 10161313

IUPAC2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCOCCNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H21F3N4O2/c1-33-13-12-28-20-14-18(24(25,26)27)22-19(32)15-21(29-16-8-4-2-5-9-16)31(23(22)30-20)17-10-6-3-7-11-17/h2-11,14-15,29H,12-13H2,1H3,(H,28,30)
InChIKeyURNHUPOUEWINGC-UHFFFAOYSA-N
MW454.45 g/mol
LogP5.21
Rot. Bonds7

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

2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10161313) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10161313
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCOCCNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H21F3N4O2/c1-33-13-12-28-20-14-18(24(25,26)27)22-19(32)15-21(29-16-8-4-2-5-9-16)31(23(22)30-20)17-10-6-3-7-11-17/h2-11,14-15,29H,12-13H2,1H3,(H,28,30)
InChIKeyURNHUPOUEWINGC-UHFFFAOYSA-N
XLogP5.21
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10161313) is 2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is COCCNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is URNHUPOUEWINGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-33-13-12-28-20-14-18(24(25,26)27)22-19(32)15-21(29-16-8-4-2-5-9-16)31(23(22)30-20)17-10-6-3-7-11-17/h2-11,14-15,29H,12-13H2,1H3,(H,28,30).
What are the key properties of 2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 454.45 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10161313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).