8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone

C19H14F3N3O — CID 4062097

IUPAC8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)15-5-1-3-13(10-15)18(26)25-8-6-16-14(11-25)9-12-4-2-7-23-17(12)24-16/h1-5,7,9-10H,6,8,11H2
InChIKeyIMIUIBHPGHIRBP-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.85
Rot. Bonds1

About 8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone

8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 4062097) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone
PubChem CID4062097
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)15-5-1-3-13(10-15)18(26)25-8-6-16-14(11-25)9-12-4-2-7-23-17(12)24-16/h1-5,7,9-10H,6,8,11H2
InChIKeyIMIUIBHPGHIRBP-UHFFFAOYSA-N
XLogP3.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone (CID 4062097) is 8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCc2nc3ncccc3cc2C1.
What is the InChIKey of 8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is IMIUIBHPGHIRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c20-19(21,22)15-5-1-3-13(10-15)18(26)25-8-6-16-14(11-25)9-12-4-2-7-23-17(12)24-16/h1-5,7,9-10H,6,8,11H2.
What are the key properties of 8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone?
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 357.34 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 4062097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).