methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate

C15H14FNO3 — CID 139369211

IUPACmethyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(Oc2cc(F)cc3cccnc23)C1
InChIInChI=1S/C15H14FNO3/c1-19-15(18)10-6-12(7-10)20-13-8-11(16)5-9-3-2-4-17-14(9)13/h2-5,8,10,12H,6-7H2,1H3
InChIKeyDGSNHQWPYZJEKT-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.70
Rot. Bonds3

About methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate

methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate (PubChem CID 139369211) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate
PubChem CID139369211
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(Oc2cc(F)cc3cccnc23)C1
InChIInChI=1S/C15H14FNO3/c1-19-15(18)10-6-12(7-10)20-13-8-11(16)5-9-3-2-4-17-14(9)13/h2-5,8,10,12H,6-7H2,1H3
InChIKeyDGSNHQWPYZJEKT-UHFFFAOYSA-N
XLogP2.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate
CID 139373983
methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate
CID 139369178
methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate
CID 134430249
3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid
CID 134430194
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid
CID 139369212
methyl (2S,4R)-4-(2,4-difluorophenoxy)pyrrolidine-2-carboxylate
CID 24902875
8-cyclobutyloxy-6-propan-2-ylquinoline
CID 134430540
N-(2,3-dihydro-1H-inden-1-yl)-3-quinolin-8-yloxycyclobutane-1-carboxamide
CID 139369320
methyl 3-[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]cyclobutane-1-carboxylate
CID 139369359
cis-quinolin-8-yl (3R,5S)-3,5-ditert-butylcyclohexane-1-carboxylate
CID 7065271
methyl (2S)-4-(4-fluoro-2-methylphenoxy)pyrrolidine-2-carboxylate
CID 45075630
3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide
CID 139373831

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate?
The IUPAC name of methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate (CID 139369211) is methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate is COC(=O)C1CC(Oc2cc(F)cc3cccnc23)C1.
What is the InChIKey of methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate?
The InChIKey is DGSNHQWPYZJEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-19-15(18)10-6-12(7-10)20-13-8-11(16)5-9-3-2-4-17-14(9)13/h2-5,8,10,12H,6-7H2,1H3.
What are the key properties of methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate?
methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylate is sourced from PubChem (CID 139369211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).