quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate

C20H16FNO2 — CID 47081979

IUPACquinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
SMILESO=C(Oc1ccc2ncccc2c1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C20H16FNO2/c21-16-6-4-15(5-7-16)20(10-2-11-20)19(23)24-17-8-9-18-14(13-17)3-1-12-22-18/h1,3-9,12-13H,2,10-11H2
InChIKeyMUEMNZIMSXYETC-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.40
Rot. Bonds3

About quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate

quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate (PubChem CID 47081979) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namequinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
PubChem CID47081979
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Namequinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
SMILESO=C(Oc1ccc2ncccc2c1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C20H16FNO2/c21-16-6-4-15(5-7-16)20(10-2-11-20)19(23)24-17-8-9-18-14(13-17)3-1-12-22-18/h1,3-9,12-13H,2,10-11H2
InChIKeyMUEMNZIMSXYETC-UHFFFAOYSA-N
XLogP4.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-O-(4-fluorophenyl) 9-O-quinolin-6-yl nonanedioate
CID 118670311
(7-methoxynaphthalen-2-yl) 4-(4-fluorophenyl)oxane-4-carboxylate
CID 60582379
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
[4-(thiophene-2-carbonylamino)phenyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55538756
(4-methoxyphenyl) 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 166293705
1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869
quinolin-6-yl formate
CID 57289431
(3-methylphenyl) 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 166293703
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
1,3-benzodioxol-5-yl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 166293704
2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde
CID 86621504
(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671

Frequently Asked Questions

What is the IUPAC name of quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
The IUPAC name of quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate (CID 47081979) is quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
The canonical SMILES for quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate is O=C(Oc1ccc2ncccc2c1)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
The InChIKey is MUEMNZIMSXYETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c21-16-6-4-15(5-7-16)20(10-2-11-20)19(23)24-17-8-9-18-14(13-17)3-1-12-22-18/h1,3-9,12-13H,2,10-11H2.
What are the key properties of quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate?
quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate has a molecular weight of 321.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 47081979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).