1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one

C24H15BrF6N2O3 — CID 175503604

IUPAC1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCOc1ccc(-c2c(OC(F)C(F)F)c3ccc(C(F)(F)F)nc3n(-c3ccc(Br)cc3)c2=O)cc1
InChIInChI=1S/C24H15BrF6N2O3/c1-35-15-8-2-12(3-9-15)18-19(36-21(28)20(26)27)16-10-11-17(24(29,30)31)32-22(16)33(23(18)34)14-6-4-13(25)5-7-14/h2-11,20-21H,1H3
InChIKeyRXNUSZQEFWKPRO-UHFFFAOYSA-N
MW573.29 g/mol
LogP6.78
Rot. Bonds6

About 1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one

1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 175503604) has the molecular formula C24H15BrF6N2O3 and a molecular weight of 573.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID175503604
Molecular FormulaC24H15BrF6N2O3
Molecular Weight573.29 g/mol
Exact Mass572.02
IUPAC Name1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESCOc1ccc(-c2c(OC(F)C(F)F)c3ccc(C(F)(F)F)nc3n(-c3ccc(Br)cc3)c2=O)cc1
InChIInChI=1S/C24H15BrF6N2O3/c1-35-15-8-2-12(3-9-15)18-19(36-21(28)20(26)27)16-10-11-17(24(29,30)31)32-22(16)33(23(18)34)14-6-4-13(25)5-7-14/h2-11,20-21H,1H3
InChIKeyRXNUSZQEFWKPRO-UHFFFAOYSA-N
XLogP6.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.29
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 164562813
4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182182
methyl 4-amino-1-[4-[(1R)-1-hydroxyethyl]phenyl]-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 176819912
1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182194
2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole
CID 86230996
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 58997471
5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 164562901
3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one
CID 155343664
3-(4-methoxyphenyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061213
1-(4-bromophenyl)-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole
CID 68883324
ethyl 1-(4-chlorophenyl)-4-hydroxy-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 175617125

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 175503604) is 1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is COc1ccc(-c2c(OC(F)C(F)F)c3ccc(C(F)(F)F)nc3n(-c3ccc(Br)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is RXNUSZQEFWKPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrF6N2O3/c1-35-15-8-2-12(3-9-15)18-19(36-21(28)20(26)27)16-10-11-17(24(29,30)31)32-22(16)33(23(18)34)14-6-4-13(25)5-7-14/h2-11,20-21H,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 573.29 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 175503604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).