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

C20H18ClNO3 — CID 86296662

IUPACethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
SMILESCCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C20H18ClNO3/c1-2-24-20(23)10-15-8-16-6-7-18(11-19(16)22-12-15)25-13-14-4-3-5-17(21)9-14/h3-9,11-12H,2,10,13H2,1H3
InChIKeyNHSZRBVHGRBVAB-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.57
Rot. Bonds6

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

ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate (PubChem CID 86296662) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
PubChem CID86296662
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Nameethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate
SMILESCCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C20H18ClNO3/c1-2-24-20(23)10-15-8-16-6-7-18(11-19(16)22-12-15)25-13-14-4-3-5-17(21)9-14/h3-9,11-12H,2,10,13H2,1H3
InChIKeyNHSZRBVHGRBVAB-UHFFFAOYSA-N
XLogP4.57
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
The IUPAC name of ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate (CID 86296662) is ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
The canonical SMILES for ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate is CCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
The InChIKey is NHSZRBVHGRBVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-2-24-20(23)10-15-8-16-6-7-18(11-19(16)22-12-15)25-13-14-4-3-5-17(21)9-14/h3-9,11-12H,2,10,13H2,1H3.
What are the key properties of ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate?
ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate has a molecular weight of 355.82 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate is sourced from PubChem (CID 86296662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).