2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one

C16H15FN2O2 — CID 123813800

IUPAC2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESC#CC=CC(F)=C(C)COc1ccc2c(n1)CCNC2=O
InChIInChI=1S/C16H15FN2O2/c1-3-4-5-13(17)11(2)10-21-15-7-6-12-14(19-15)8-9-18-16(12)20/h1,4-7H,8-10H2,2H3,(H,18,20)
InChIKeyRKCWFOXVELKAAQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.18
Rot. Bonds4

About 2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 123813800) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID123813800
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESC#CC=CC(F)=C(C)COc1ccc2c(n1)CCNC2=O
InChIInChI=1S/C16H15FN2O2/c1-3-4-5-13(17)11(2)10-21-15-7-6-12-14(19-15)8-9-18-16(12)20/h1,4-7H,8-10H2,2H3,(H,18,20)
InChIKeyRKCWFOXVELKAAQ-UHFFFAOYSA-N
XLogP2.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 123813800) is 2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one is C#CC=CC(F)=C(C)COc1ccc2c(n1)CCNC2=O.
What is the InChIKey of 2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is RKCWFOXVELKAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-3-4-5-13(17)11(2)10-21-15-7-6-12-14(19-15)8-9-18-16(12)20/h1,4-7H,8-10H2,2H3,(H,18,20).
What are the key properties of 2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 286.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylhepta-2,4-dien-6-ynoxy)-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 123813800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).