4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one

C17H20FNO2 — CID 503384

IUPAC4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C17H20FNO2/c1-10(2)15-16(21-9-11-4-3-5-11)13-8-12(18)6-7-14(13)19-17(15)20/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyBUDUBWDZWAOGLF-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.97
Rot. Bonds4

About 4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one

4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one (PubChem CID 503384) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one
PubChem CID503384
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C17H20FNO2/c1-10(2)15-16(21-9-11-4-3-5-11)13-8-12(18)6-7-14(13)19-17(15)20/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyBUDUBWDZWAOGLF-UHFFFAOYSA-N
XLogP3.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one (CID 503384) is 4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one is CC(C)c1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O.
What is the InChIKey of 4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one?
The InChIKey is BUDUBWDZWAOGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-10(2)15-16(21-9-11-4-3-5-11)13-8-12(18)6-7-14(13)19-17(15)20/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of 4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one?
4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one has a molecular weight of 289.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 503384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).