methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate

C16H16ClNO3 — CID 103272401

IUPACmethyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate
SMILESCOC(=O)CC1(Oc2ccc(Cl)c3cccnc23)CCC1
InChIInChI=1S/C16H16ClNO3/c1-20-14(19)10-16(7-3-8-16)21-13-6-5-12(17)11-4-2-9-18-15(11)13/h2,4-6,9H,3,7-8,10H2,1H3
InChIKeyQMLZHWLJBOWOPG-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.75
Rot. Bonds4

About methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate

methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate (PubChem CID 103272401) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate
PubChem CID103272401
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Namemethyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate
SMILESCOC(=O)CC1(Oc2ccc(Cl)c3cccnc23)CCC1
InChIInChI=1S/C16H16ClNO3/c1-20-14(19)10-16(7-3-8-16)21-13-6-5-12(17)11-4-2-9-18-15(11)13/h2,4-6,9H,3,7-8,10H2,1H3
InChIKeyQMLZHWLJBOWOPG-UHFFFAOYSA-N
XLogP3.75
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate (CID 103272401) is methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate is COC(=O)CC1(Oc2ccc(Cl)c3cccnc23)CCC1.
What is the InChIKey of methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate?
The InChIKey is QMLZHWLJBOWOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-14(19)10-16(7-3-8-16)21-13-6-5-12(17)11-4-2-9-18-15(11)13/h2,4-6,9H,3,7-8,10H2,1H3.
What are the key properties of methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate?
methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate has a molecular weight of 305.76 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-chloroquinolin-8-yl)oxycyclobutyl]acetate is sourced from PubChem (CID 103272401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).