4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one

C16H14FNO2 — CID 503397

IUPAC4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one
SMILESCCc1c(OC#CC2CC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C16H14FNO2/c1-2-12-15(20-8-7-10-3-4-10)13-9-11(17)5-6-14(13)18-16(12)19/h5-6,9-10H,2-4H2,1H3,(H,18,19)
InChIKeyORNTVNQQVUITLP-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.98
Rot. Bonds2

About 4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one

4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one (PubChem CID 503397) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one
PubChem CID503397
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one
SMILESCCc1c(OC#CC2CC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C16H14FNO2/c1-2-12-15(20-8-7-10-3-4-10)13-9-11(17)5-6-14(13)18-16(12)19/h5-6,9-10H,2-4H2,1H3,(H,18,19)
InChIKeyORNTVNQQVUITLP-UHFFFAOYSA-N
XLogP2.98
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one (CID 503397) is 4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one is CCc1c(OC#CC2CC2)c2cc(F)ccc2[nH]c1=O.
What is the InChIKey of 4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one?
The InChIKey is ORNTVNQQVUITLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-2-12-15(20-8-7-10-3-4-10)13-9-11(17)5-6-14(13)18-16(12)19/h5-6,9-10H,2-4H2,1H3,(H,18,19).
What are the key properties of 4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one?
4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one has a molecular weight of 271.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 503397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).