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

C15H16FNO2 — CID 3013146

IUPAC4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one
SMILESCc1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C15H16FNO2/c1-9-14(19-8-10-3-2-4-10)12-7-11(16)5-6-13(12)17-15(9)18/h5-7,10H,2-4,8H2,1H3,(H,17,18)
InChIKeyUFIVVKQJXGRWAO-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.15
Rot. Bonds3

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

4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one (PubChem CID 3013146) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one
PubChem CID3013146
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one
SMILESCc1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C15H16FNO2/c1-9-14(19-8-10-3-2-4-10)12-7-11(16)5-6-13(12)17-15(9)18/h5-7,10H,2-4,8H2,1H3,(H,17,18)
InChIKeyUFIVVKQJXGRWAO-UHFFFAOYSA-N
XLogP3.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.15
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-methyl-1H-quinolin-2-one?
The IUPAC name of 4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one (CID 3013146) is 4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one is Cc1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O.
What is the InChIKey of 4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one?
The InChIKey is UFIVVKQJXGRWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9-14(19-8-10-3-2-4-10)12-7-11(16)5-6-13(12)17-15(9)18/h5-7,10H,2-4,8H2,1H3,(H,17,18).
What are the key properties of 4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one?
4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one has a molecular weight of 261.30 g/mol, XLogP of 3.15, 3 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-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3013146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).