methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate

C18H14ClNO4 — CID 10617376

IUPACmethyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate
SMILESCOC(=O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H14ClNO4/c1-23-15(21)10-24-17-13-8-7-12(19)9-14(13)20-18(22)16(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,22)
InChIKeyABVJPTKPDXVKOP-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.40
Rot. Bonds4

About methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate

methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate (PubChem CID 10617376) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate
PubChem CID10617376
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Namemethyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate
SMILESCOC(=O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H14ClNO4/c1-23-15(21)10-24-17-13-8-7-12(19)9-14(13)20-18(22)16(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,22)
InChIKeyABVJPTKPDXVKOP-UHFFFAOYSA-N
XLogP3.40
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate?
The IUPAC name of methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate (CID 10617376) is methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate?
The canonical SMILES for methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate is COC(=O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate?
The InChIKey is ABVJPTKPDXVKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-23-15(21)10-24-17-13-8-7-12(19)9-14(13)20-18(22)16(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate?
methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate has a molecular weight of 343.77 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetate is sourced from PubChem (CID 10617376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).