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

C17H16FNO2 — CID 3013151

IUPAC4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC#CC2CC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C17H16FNO2/c1-2-3-13-16(21-9-8-11-4-5-11)14-10-12(18)6-7-15(14)19-17(13)20/h6-7,10-11H,2-5H2,1H3,(H,19,20)
InChIKeyVXJVRMXXVKKXBD-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.37
Rot. Bonds3

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

4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one (PubChem CID 3013151) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one
PubChem CID3013151
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(OC#CC2CC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C17H16FNO2/c1-2-3-13-16(21-9-8-11-4-5-11)14-10-12(18)6-7-15(14)19-17(13)20/h6-7,10-11H,2-5H2,1H3,(H,19,20)
InChIKeyVXJVRMXXVKKXBD-UHFFFAOYSA-N
XLogP3.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.37
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)-6-fluoro-3-propyl-1H-quinolin-2-one?
The IUPAC name of 4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one (CID 3013151) is 4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one is CCCc1c(OC#CC2CC2)c2cc(F)ccc2[nH]c1=O.
What is the InChIKey of 4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one?
The InChIKey is VXJVRMXXVKKXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-2-3-13-16(21-9-8-11-4-5-11)14-10-12(18)6-7-15(14)19-17(13)20/h6-7,10-11H,2-5H2,1H3,(H,19,20).
What are the key properties of 4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one?
4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one is sourced from PubChem (CID 3013151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).