4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one

C15H8BrClF3N3O — CID 162518381

IUPAC4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESNc1c(Br)c(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H8BrClF3N3O/c16-11-12(21)7-5-6-10(15(18,19)20)22-13(7)23(14(11)24)9-4-2-1-3-8(9)17/h1-6H,21H2
InChIKeyXOQAIKQPSINVML-UHFFFAOYSA-N
MW418.60 g/mol
LogP4.40
Rot. Bonds1

About 4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one

4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (PubChem CID 162518381) has the molecular formula C15H8BrClF3N3O and a molecular weight of 418.60 g/mol. Its IUPAC name is 4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
PubChem CID162518381
Molecular FormulaC15H8BrClF3N3O
Molecular Weight418.60 g/mol
Exact Mass416.95
IUPAC Name4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
SMILESNc1c(Br)c(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H8BrClF3N3O/c16-11-12(21)7-5-6-10(15(18,19)20)22-13(7)23(14(11)24)9-4-2-1-3-8(9)17/h1-6H,21H2
InChIKeyXOQAIKQPSINVML-UHFFFAOYSA-N
XLogP4.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one (CID 162518381) is 4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is Nc1c(Br)c(=O)n(-c2ccccc2Cl)c2nc(C(F)(F)F)ccc12.
What is the InChIKey of 4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
The InChIKey is XOQAIKQPSINVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClF3N3O/c16-11-12(21)7-5-6-10(15(18,19)20)22-13(7)23(14(11)24)9-4-2-1-3-8(9)17/h1-6H,21H2.
What are the key properties of 4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one?
4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one has a molecular weight of 418.60 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 162518381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).