2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one

C19H15NO2 — CID 175133039

IUPAC2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one
SMILESO=C1CCC1c1ccccc1Oc1ccc2ccccc2n1
InChIInChI=1S/C19H15NO2/c21-17-11-10-14(17)15-6-2-4-8-18(15)22-19-12-9-13-5-1-3-7-16(13)20-19/h1-9,12,14H,10-11H2
InChIKeyNJCBGCRTSIVOCG-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.47
Rot. Bonds3

About 2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one

2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one (PubChem CID 175133039) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one.

Molecular Properties

Compound Name2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one
PubChem CID175133039
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one
SMILESO=C1CCC1c1ccccc1Oc1ccc2ccccc2n1
InChIInChI=1S/C19H15NO2/c21-17-11-10-14(17)15-6-2-4-8-18(15)22-19-12-9-13-5-1-3-7-16(13)20-19/h1-9,12,14H,10-11H2
InChIKeyNJCBGCRTSIVOCG-UHFFFAOYSA-N
XLogP4.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one?
The IUPAC name of 2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one (CID 175133039) is 2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one.
What is the SMILES notation for 2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one?
The canonical SMILES for 2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one is O=C1CCC1c1ccccc1Oc1ccc2ccccc2n1.
What is the InChIKey of 2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one?
The InChIKey is NJCBGCRTSIVOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-17-11-10-14(17)15-6-2-4-8-18(15)22-19-12-9-13-5-1-3-7-16(13)20-19/h1-9,12,14H,10-11H2.
What are the key properties of 2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one?
2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one has a molecular weight of 289.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-2-yloxyphenyl)cyclobutan-1-one is sourced from PubChem (CID 175133039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).