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

C23H18F3N3OS — CID 10225308

IUPAC2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCCSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C23H18F3N3OS/c1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16/h3-14,27H,2H2,1H3
InChIKeyNZFBNQLCYXPKFW-UHFFFAOYSA-N
MW441.48 g/mol
LogP6.26
Rot. Bonds5

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

2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10225308) has the molecular formula C23H18F3N3OS and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10225308
Molecular FormulaC23H18F3N3OS
Molecular Weight441.48 g/mol
Exact Mass441.11
IUPAC Name2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCCSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C23H18F3N3OS/c1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16/h3-14,27H,2H2,1H3
InChIKeyNZFBNQLCYXPKFW-UHFFFAOYSA-N
XLogP6.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.48
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylsulfanyl-2-phenyl-6-{[3-(trifluoromethyl)-phenyl]amino}pyrimidin-5-yl)ethan-1-one
CID 167993351
2-Anilino-1-phenyl-7-thiophen-3-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10115683
2-Anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10116626
2-Anilino-7-(2-methylpropylsulfonyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10141797
2-Anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10162237
N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-5,8-dihydro-1,8-naphthyridin-2-yl]methanesulfonamide
CID 10162479
2-Anilino-7-(diethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10182514
2-[[7-Anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide
CID 10227084
2-anilino-1-phenyl-7-(1-piperidinyl)-5-(trifluoromethyl)-1,8-naphthyridin-4(1H)-one
CID 10298500
Ethyl {[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-5,8-dihydro-1,8-naphthyridin-2-yl]sulfanyl}acetate
CID 11684737
1-[7-Anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea
CID 20790395
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide
CID 20790465

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10225308) is 2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CCSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is NZFBNQLCYXPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3OS/c1-2-31-20-13-17(23(24,25)26)21-18(30)14-19(27-15-9-5-3-6-10-15)29(22(21)28-20)16-11-7-4-8-12-16/h3-14,27H,2H2,1H3.
What are the key properties of 2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 441.48 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-ethylsulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10225308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).