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

C16H18FNO3 — CID 503392

IUPAC4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one
SMILESCCOc1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C16H18FNO3/c1-2-20-15-14(21-9-10-4-3-5-10)12-8-11(17)6-7-13(12)18-16(15)19/h6-8,10H,2-5,9H2,1H3,(H,18,19)
InChIKeyREEBQLYECZRZFJ-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.24
Rot. Bonds5

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

4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one (PubChem CID 503392) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one
PubChem CID503392
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one
SMILESCCOc1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C16H18FNO3/c1-2-20-15-14(21-9-10-4-3-5-10)12-8-11(17)6-7-13(12)18-16(15)19/h6-8,10H,2-5,9H2,1H3,(H,18,19)
InChIKeyREEBQLYECZRZFJ-UHFFFAOYSA-N
XLogP3.24
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((Cyclopropylethynyl)oxy)-6-fluoro-3-isopropylquinolin-2(1H)-one
CID 448725
Flindersine
CID 68230
4-Methoxy-3-(3-methyl-1,3-butadienyl)-2(1H)-quinolinone
CID 131752802
2-Methyl-6-propyl-4,6-dihydro-2H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
CID 615579
4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one
CID 3013151
4-(3-Methylbut-2-enoxy)quinolin-2-ol
CID 21770009
4-(cyclopentoxy)-6-fluoro-3-propyl-1H-quinolin-2-one
CID 503366
4-(cyclopentoxy)-3-propyl-1H-quinolin-2-one
CID 503368
4-(cyclobutylmethoxy)-6-fluoro-3-propyl-1H-quinolin-2-one
CID 503382
4-(cyclobutylmethoxy)-6-fluoro-3-isopropyl-1H-quinolin-2-one
CID 503384
6-chloro-4-(cyclobutylmethoxy)-3-ethoxy-1H-quinolin-2-one
CID 503391
4-(2-cyclopropylethynoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one
CID 503397

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one (CID 503392) is 4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one is CCOc1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O.
What is the InChIKey of 4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one?
The InChIKey is REEBQLYECZRZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-2-20-15-14(21-9-10-4-3-5-10)12-8-11(17)6-7-13(12)18-16(15)19/h6-8,10H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one?
4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one has a molecular weight of 291.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-3-ethoxy-6-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 503392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).