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

C16H18FNO2 — CID 3013147

IUPAC4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one
SMILESCCc1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C16H18FNO2/c1-2-12-15(20-9-10-4-3-5-10)13-8-11(17)6-7-14(13)18-16(12)19/h6-8,10H,2-5,9H2,1H3,(H,18,19)
InChIKeyCERPSDUBSGDEHH-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.41
Rot. Bonds4

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

4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one (PubChem CID 3013147) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one
PubChem CID3013147
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one
SMILESCCc1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C16H18FNO2/c1-2-12-15(20-9-10-4-3-5-10)13-8-11(17)6-7-14(13)18-16(12)19/h6-8,10H,2-5,9H2,1H3,(H,18,19)
InChIKeyCERPSDUBSGDEHH-UHFFFAOYSA-N
XLogP3.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-((Cyclopropylethynyl)oxy)-6-fluoro-3-isopropylquinolin-2(1H)-one
CID 448725
6-Chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1H)-one
CID 448729
4-(cyclopentoxy)-2-oxo-3-propyl-1H-quinoline-6-carbonitrile
CID 503372
4-(2-cyclopropylethynoxy)-6-fluoro-3-propyl-1H-quinolin-2-one
CID 3013151
Flindersine
CID 68230
Bucharaine
CID 5338262
4-Methoxy-3-(3-methyl-1,3-butadienyl)-2(1H)-quinolinone
CID 131752802
4-(cyclopentoxy)-6-fluoro-3-propyl-1H-quinolin-2-one
CID 503366
4-(cyclopentoxy)-3-propyl-1H-quinolin-2-one
CID 503368
4-(cyclopentoxy)-6-methyl-3-propyl-1H-quinolin-2-one
CID 503369
6-chloro-4-(cyclobutoxy)-3-propyl-1H-quinolin-2-one
CID 503376
6-chloro-4-(cyclohexylmethoxy)-3-propyl-1H-quinolin-2-one
CID 503377

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one (CID 3013147) is 4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one is CCc1c(OCC2CCC2)c2cc(F)ccc2[nH]c1=O.
What is the InChIKey of 4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one?
The InChIKey is CERPSDUBSGDEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-12-15(20-9-10-4-3-5-10)13-8-11(17)6-7-14(13)18-16(12)19/h6-8,10H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one?
4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one has a molecular weight of 275.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-3-ethyl-6-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 3013147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).