methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate

C19H16ClNO4 — CID 12882385

IUPACmethyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Oc2ccc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C19H16ClNO4/c1-12(19(22)23-2)24-15-5-7-16(8-6-15)25-18-10-3-13-11-14(20)4-9-17(13)21-18/h3-12H,1-2H3
InChIKeyYLRQOFASNKACAR-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.62
Rot. Bonds5

About methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate

methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate (PubChem CID 12882385) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate
PubChem CID12882385
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Namemethyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Oc2ccc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C19H16ClNO4/c1-12(19(22)23-2)24-15-5-7-16(8-6-15)25-18-10-3-13-11-14(20)4-9-17(13)21-18/h3-12H,1-2H3
InChIKeyYLRQOFASNKACAR-UHFFFAOYSA-N
XLogP4.62
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate?
The IUPAC name of methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate (CID 12882385) is methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate?
The canonical SMILES for methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate is COC(=O)C(C)Oc1ccc(Oc2ccc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate?
The InChIKey is YLRQOFASNKACAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-12(19(22)23-2)24-15-5-7-16(8-6-15)25-18-10-3-13-11-14(20)4-9-17(13)21-18/h3-12H,1-2H3.
What are the key properties of methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate?
methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate has a molecular weight of 357.79 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate is sourced from PubChem (CID 12882385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).