methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate

C19H16ClNO3 — CID 86296848

IUPACmethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
SMILESCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C19H16ClNO3/c1-23-19(22)9-14-7-15-5-6-17(10-18(15)21-11-14)24-12-13-3-2-4-16(20)8-13/h2-8,10-11H,9,12H2,1H3
InChIKeyZFYJSBYSNKDDJP-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.18
Rot. Bonds5

About methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate

methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate (PubChem CID 86296848) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
PubChem CID86296848
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Namemethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
SMILESCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C19H16ClNO3/c1-23-19(22)9-14-7-15-5-6-17(10-18(15)21-11-14)24-12-13-3-2-4-16(20)8-13/h2-8,10-11H,9,12H2,1H3
InChIKeyZFYJSBYSNKDDJP-UHFFFAOYSA-N
XLogP4.18
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
The IUPAC name of methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate (CID 86296848) is methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate is COC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
The InChIKey is ZFYJSBYSNKDDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-23-19(22)9-14-7-15-5-6-17(10-18(15)21-11-14)24-12-13-3-2-4-16(20)8-13/h2-8,10-11H,9,12H2,1H3.
What are the key properties of methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate has a molecular weight of 341.79 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate is sourced from PubChem (CID 86296848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).