8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one

C17H18F3N3O2 — CID 167173261

IUPAC8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one
SMILESCCCC(=O)N1CCc2c(c(=O)n(C)c3cc(C(F)(F)F)cnc23)C1
InChIInChI=1S/C17H18F3N3O2/c1-3-4-14(24)23-6-5-11-12(9-23)16(25)22(2)13-7-10(17(18,19)20)8-21-15(11)13/h7-8H,3-6,9H2,1-2H3
InChIKeyDNPXUWCSLAZQNT-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.64
Rot. Bonds2

About 8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one

8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one (PubChem CID 167173261) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one.

Molecular Properties

Compound Name8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one
PubChem CID167173261
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one
SMILESCCCC(=O)N1CCc2c(c(=O)n(C)c3cc(C(F)(F)F)cnc23)C1
InChIInChI=1S/C17H18F3N3O2/c1-3-4-14(24)23-6-5-11-12(9-23)16(25)22(2)13-7-10(17(18,19)20)8-21-15(11)13/h7-8H,3-6,9H2,1-2H3
InChIKeyDNPXUWCSLAZQNT-UHFFFAOYSA-N
XLogP2.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one?
The IUPAC name of 8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one (CID 167173261) is 8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one.
What is the SMILES notation for 8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one?
The canonical SMILES for 8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one is CCCC(=O)N1CCc2c(c(=O)n(C)c3cc(C(F)(F)F)cnc23)C1.
What is the InChIKey of 8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one?
The InChIKey is DNPXUWCSLAZQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-3-4-14(24)23-6-5-11-12(9-23)16(25)22(2)13-7-10(17(18,19)20)8-21-15(11)13/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one?
8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one has a molecular weight of 353.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butanoyl-5-methyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one is sourced from PubChem (CID 167173261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).