7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one

C16H14F3N3O3S — CID 118163706

IUPAC7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
SMILESCC1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O3S/c1-9-5-14(23)15-13(7-11(20)8-21-15)22(9)26(24,25)12-4-2-3-10(6-12)16(17,18)19/h2-4,6-9H,5,20H2,1H3
InChIKeyOFBBDKNGBIEZPG-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.85
Rot. Bonds2

About 7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one

7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one (PubChem CID 118163706) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is 7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
PubChem CID118163706
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
SMILESCC1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O3S/c1-9-5-14(23)15-13(7-11(20)8-21-15)22(9)26(24,25)12-4-2-3-10(6-12)16(17,18)19/h2-4,6-9H,5,20H2,1H3
InChIKeyOFBBDKNGBIEZPG-UHFFFAOYSA-N
XLogP2.85
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one?
The IUPAC name of 7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one (CID 118163706) is 7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one.
What is the SMILES notation for 7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one?
The canonical SMILES for 7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one is CC1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one?
The InChIKey is OFBBDKNGBIEZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-9-5-14(23)15-13(7-11(20)8-21-15)22(9)26(24,25)12-4-2-3-10(6-12)16(17,18)19/h2-4,6-9H,5,20H2,1H3.
What are the key properties of 7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one?
7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one has a molecular weight of 385.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one is sourced from PubChem (CID 118163706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).