5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one

C16H14F3N3O2 — CID 167172931

IUPAC5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one
SMILESC=CC(=O)N1CCc2c(c(=O)n(C)c3cc(C(F)(F)F)cnc23)C1
InChIInChI=1S/C16H14F3N3O2/c1-3-13(23)22-5-4-10-11(8-22)15(24)21(2)12-6-9(16(17,18)19)7-20-14(10)12/h3,6-7H,1,4-5,8H2,2H3
InChIKeyFLYSPNGXLQHRSI-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.02
Rot. Bonds1

About 5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one

5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one (PubChem CID 167172931) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one.

Molecular Properties

Compound Name5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one
PubChem CID167172931
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one
SMILESC=CC(=O)N1CCc2c(c(=O)n(C)c3cc(C(F)(F)F)cnc23)C1
InChIInChI=1S/C16H14F3N3O2/c1-3-13(23)22-5-4-10-11(8-22)15(24)21(2)12-6-9(16(17,18)19)7-20-14(10)12/h3,6-7H,1,4-5,8H2,2H3
InChIKeyFLYSPNGXLQHRSI-UHFFFAOYSA-N
XLogP2.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one?
The IUPAC name of 5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one (CID 167172931) is 5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one.
What is the SMILES notation for 5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one?
The canonical SMILES for 5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one is C=CC(=O)N1CCc2c(c(=O)n(C)c3cc(C(F)(F)F)cnc23)C1.
What is the InChIKey of 5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one?
The InChIKey is FLYSPNGXLQHRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-3-13(23)22-5-4-10-11(8-22)15(24)21(2)12-6-9(16(17,18)19)7-20-14(10)12/h3,6-7H,1,4-5,8H2,2H3.
What are the key properties of 5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one?
5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one has a molecular weight of 337.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-prop-2-enoyl-3-(trifluoromethyl)-9,10-dihydro-7H-pyrido[3,4-c][1,5]naphthyridin-6-one is sourced from PubChem (CID 167172931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).