methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate

C22H23NO3 — CID 19087783

IUPACmethyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate
SMILESCCCc1cc(CC(=O)OC)ccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C22H23NO3/c1-3-6-18-13-16(14-22(24)25-2)9-12-21(18)26-15-19-11-10-17-7-4-5-8-20(17)23-19/h4-5,7-13H,3,6,14-15H2,1-2H3
InChIKeyMZETUWIHACOKLS-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.48
Rot. Bonds7

About methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate

methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate (PubChem CID 19087783) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate
PubChem CID19087783
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Namemethyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate
SMILESCCCc1cc(CC(=O)OC)ccc1OCc1ccc2ccccc2n1
InChIInChI=1S/C22H23NO3/c1-3-6-18-13-16(14-22(24)25-2)9-12-21(18)26-15-19-11-10-17-7-4-5-8-20(17)23-19/h4-5,7-13H,3,6,14-15H2,1-2H3
InChIKeyMZETUWIHACOKLS-UHFFFAOYSA-N
XLogP4.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate (CID 19087783) is methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate is CCCc1cc(CC(=O)OC)ccc1OCc1ccc2ccccc2n1.
What is the InChIKey of methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate?
The InChIKey is MZETUWIHACOKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-3-6-18-13-16(14-22(24)25-2)9-12-21(18)26-15-19-11-10-17-7-4-5-8-20(17)23-19/h4-5,7-13H,3,6,14-15H2,1-2H3.
What are the key properties of methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate?
methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate has a molecular weight of 349.43 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate is sourced from PubChem (CID 19087783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).