4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one

C18H13F3N2O2 — CID 54735445

IUPAC4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one
SMILESC=CCc1c(O)c2cccnc2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C18H13F3N2O2/c1-2-5-14-15(24)13-8-4-9-22-16(13)23(17(14)25)12-7-3-6-11(10-12)18(19,20)21/h2-4,6-10,24H,1,5H2
InChIKeyOVJRLLJYQKQIBU-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.84
Rot. Bonds3

About 4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one

4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one (PubChem CID 54735445) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one
PubChem CID54735445
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one
SMILESC=CCc1c(O)c2cccnc2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C18H13F3N2O2/c1-2-5-14-15(24)13-8-4-9-22-16(13)23(17(14)25)12-7-3-6-11(10-12)18(19,20)21/h2-4,6-10,24H,1,5H2
InChIKeyOVJRLLJYQKQIBU-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one (CID 54735445) is 4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one is C=CCc1c(O)c2cccnc2n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one?
The InChIKey is OVJRLLJYQKQIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-2-5-14-15(24)13-8-4-9-22-16(13)23(17(14)25)12-7-3-6-11(10-12)18(19,20)21/h2-4,6-10,24H,1,5H2.
What are the key properties of 4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one?
4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one has a molecular weight of 346.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 54735445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).