3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one

C17H19NO3 — CID 107942290

IUPAC3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1cccc2ccc(C)nc12
InChIInChI=1S/C17H19NO3/c1-3-9-20-17-13(19)10-15(17)21-14-6-4-5-12-8-7-11(2)18-16(12)14/h4-8,15,17H,3,9-10H2,1-2H3
InChIKeyCTHLZPKIZVGGAG-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.06
Rot. Bonds5

About 3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one

3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one (PubChem CID 107942290) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one
PubChem CID107942290
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1Oc1cccc2ccc(C)nc12
InChIInChI=1S/C17H19NO3/c1-3-9-20-17-13(19)10-15(17)21-14-6-4-5-12-8-7-11(2)18-16(12)14/h4-8,15,17H,3,9-10H2,1-2H3
InChIKeyCTHLZPKIZVGGAG-UHFFFAOYSA-N
XLogP3.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one?
The IUPAC name of 3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one (CID 107942290) is 3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one.
What is the SMILES notation for 3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one?
The canonical SMILES for 3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one is CCCOC1C(=O)CC1Oc1cccc2ccc(C)nc12.
What is the InChIKey of 3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one?
The InChIKey is CTHLZPKIZVGGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-9-20-17-13(19)10-15(17)21-14-6-4-5-12-8-7-11(2)18-16(12)14/h4-8,15,17H,3,9-10H2,1-2H3.
What are the key properties of 3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one?
3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one has a molecular weight of 285.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-8-yl)oxy-2-propoxycyclobutan-1-one is sourced from PubChem (CID 107942290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).