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

C25H22F3N3O2 — CID 142224998

IUPAC2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H22F3N3O2/c1-3-16(2)33-22-14-19(25(26,27)28)23-20(32)15-21(29-17-10-6-4-7-11-17)31(24(23)30-22)18-12-8-5-9-13-18/h4-16,29H,3H2,1-2H3
InChIKeyXGFVNKJWLLTMNM-UHFFFAOYSA-N
MW453.46 g/mol
LogP6.33
Rot. Bonds6

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

2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 142224998) has the molecular formula C25H22F3N3O2 and a molecular weight of 453.46 g/mol. Its IUPAC name is 2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID142224998
Molecular FormulaC25H22F3N3O2
Molecular Weight453.46 g/mol
Exact Mass453.17
IUPAC Name2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C25H22F3N3O2/c1-3-16(2)33-22-14-19(25(26,27)28)23-20(32)15-21(29-17-10-6-4-7-11-17)31(24(23)30-22)18-12-8-5-9-13-18/h4-16,29H,3H2,1-2H3
InChIKeyXGFVNKJWLLTMNM-UHFFFAOYSA-N
XLogP6.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.46
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10264202
7-Phenoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10663067
7-Ethoxy-2-phenyl-1,8-naphthyridin-4-ol
CID 10706862
7-Ethoxy-1-ethyl-2-phenyl-1H-[1,8]naphthyridin-4-one
CID 11266371
3-methyl-2-(4-tetrahydropyran-4-yloxyphenyl)-1H-1,8-naphthyridin-4-one
CID 70694169
2-(4-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468703
N-cyclohexyl-7-[(2-fluorophenyl)methoxy]-1-[(2-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086887
N-(6-anilino-2-pyridinyl)-4-propoxybenzamide
CID 71727898
N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
CID 71727899
N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
CID 71727900
N-[6-(4-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
CID 71727901
2-(3-Fluoroanilino)-1-(3-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
CID 10112903

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 142224998) is 2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is XGFVNKJWLLTMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2/c1-3-16(2)33-22-14-19(25(26,27)28)23-20(32)15-21(29-17-10-6-4-7-11-17)31(24(23)30-22)18-12-8-5-9-13-18/h4-16,29H,3H2,1-2H3.
What are the key properties of 2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 453.46 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-butan-2-yloxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 142224998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).