2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide

C29H21F3N4O3 — CID 20790464

IUPAC2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide
SMILESO=C(COc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccccc1
InChIInChI=1S/C29H21F3N4O3/c30-29(31,32)22-16-26(39-18-25(38)34-20-12-6-2-7-13-20)35-28-27(22)23(37)17-24(33-19-10-4-1-5-11-19)36(28)21-14-8-3-9-15-21/h1-17,33H,18H2,(H,34,38)
InChIKeyBGFULFFMHHMLSC-UHFFFAOYSA-N
MW530.51 g/mol
LogP6.17
Rot. Bonds7

About 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide

2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide (PubChem CID 20790464) has the molecular formula C29H21F3N4O3 and a molecular weight of 530.51 g/mol. Its IUPAC name is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide
PubChem CID20790464
Molecular FormulaC29H21F3N4O3
Molecular Weight530.51 g/mol
Exact Mass530.16
IUPAC Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide
SMILESO=C(COc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccccc1
InChIInChI=1S/C29H21F3N4O3/c30-29(31,32)22-16-26(39-18-25(38)34-20-12-6-2-7-13-20)35-28-27(22)23(37)17-24(33-19-10-4-1-5-11-19)36(28)21-14-8-3-9-15-21/h1-17,33H,18H2,(H,34,38)
InChIKeyBGFULFFMHHMLSC-UHFFFAOYSA-N
XLogP6.17
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.51
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide?
The IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide (CID 20790464) is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide.
What is the SMILES notation for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide?
The canonical SMILES for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide is O=C(COc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccccc1.
What is the InChIKey of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide?
The InChIKey is BGFULFFMHHMLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O3/c30-29(31,32)22-16-26(39-18-25(38)34-20-12-6-2-7-13-20)35-28-27(22)23(37)17-24(33-19-10-4-1-5-11-19)36(28)21-14-8-3-9-15-21/h1-17,33H,18H2,(H,34,38).
What are the key properties of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide?
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide has a molecular weight of 530.51 g/mol, XLogP of 6.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide is sourced from PubChem (CID 20790464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).