8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one

C15H13F3N2O2 — CID 53337545

IUPAC8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one
SMILESCc1ccc2[nH]c3c(c(=O)c2c1)CN(C(=O)C(F)(F)F)CC3
InChIInChI=1S/C15H13F3N2O2/c1-8-2-3-11-9(6-8)13(21)10-7-20(5-4-12(10)19-11)14(22)15(16,17)18/h2-3,6H,4-5,7H2,1H3,(H,19,21)
InChIKeyDVHXIIGOLHXJOC-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.28
Rot. Bonds

About 8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one

8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one (PubChem CID 53337545) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one
PubChem CID53337545
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one
SMILESCc1ccc2[nH]c3c(c(=O)c2c1)CN(C(=O)C(F)(F)F)CC3
InChIInChI=1S/C15H13F3N2O2/c1-8-2-3-11-9(6-8)13(21)10-7-20(5-4-12(10)19-11)14(22)15(16,17)18/h2-3,6H,4-5,7H2,1H3,(H,19,21)
InChIKeyDVHXIIGOLHXJOC-UHFFFAOYSA-N
XLogP2.28
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
The IUPAC name of 8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one (CID 53337545) is 8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one.
What is the SMILES notation for 8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
The canonical SMILES for 8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one is Cc1ccc2[nH]c3c(c(=O)c2c1)CN(C(=O)C(F)(F)F)CC3.
What is the InChIKey of 8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
The InChIKey is DVHXIIGOLHXJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-8-2-3-11-9(6-8)13(21)10-7-20(5-4-12(10)19-11)14(22)15(16,17)18/h2-3,6H,4-5,7H2,1H3,(H,19,21).
What are the key properties of 8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one has a molecular weight of 310.28 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2,2,2-trifluoroacetyl)-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-10-one is sourced from PubChem (CID 53337545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).