3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one

C16H11F3N2O2 — CID 70685786

IUPAC3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one
SMILESCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ncccc2c1=O
InChIInChI=1S/C16H11F3N2O2/c1-9-13(21-15-12(14(9)22)3-2-8-20-15)10-4-6-11(7-5-10)23-16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyXNUIPMFAXZHXMF-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.80
Rot. Bonds2

About 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one

3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one (PubChem CID 70685786) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one
PubChem CID70685786
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one
SMILESCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ncccc2c1=O
InChIInChI=1S/C16H11F3N2O2/c1-9-13(21-15-12(14(9)22)3-2-8-20-15)10-4-6-11(7-5-10)23-16(17,18)19/h2-8H,1H3,(H,20,21,22)
InChIKeyXNUIPMFAXZHXMF-UHFFFAOYSA-N
XLogP3.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one (CID 70685786) is 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one is Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ncccc2c1=O.
What is the InChIKey of 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one?
The InChIKey is XNUIPMFAXZHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-9-13(21-15-12(14(9)22)3-2-8-20-15)10-4-6-11(7-5-10)23-16(17,18)19/h2-8H,1H3,(H,20,21,22).
What are the key properties of 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one?
3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one has a molecular weight of 320.27 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 70685786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).