methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate

C20H16ClNO4 — CID 139937850

IUPACmethyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)c(C(C)=O)c(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C20H16ClNO4/c1-12(23)18-19(13-6-4-3-5-7-13)15-10-14(21)8-9-16(15)22(20(18)25)11-17(24)26-2/h3-10H,11H2,1-2H3
InChIKeyXRHNJKBUXBUNRI-UHFFFAOYSA-N
MW369.80 g/mol
LogP3.70
Rot. Bonds4

About methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate

methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate (PubChem CID 139937850) has the molecular formula C20H16ClNO4 and a molecular weight of 369.80 g/mol. Its IUPAC name is methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate
PubChem CID139937850
Molecular FormulaC20H16ClNO4
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC Namemethyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)c(C(C)=O)c(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C20H16ClNO4/c1-12(23)18-19(13-6-4-3-5-7-13)15-10-14(21)8-9-16(15)22(20(18)25)11-17(24)26-2/h3-10H,11H2,1-2H3
InChIKeyXRHNJKBUXBUNRI-UHFFFAOYSA-N
XLogP3.70
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
CID 11727151
methyl 4-benzoyl-1-benzyl-6-chloro-2-oxoquinoline-3-carboxylate
CID 132536891
methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate
CID 87287595
6-chloro-1-ethyl-3-[(E)-3-(1-ethylbenzimidazol-2-yl)prop-2-enoyl]-4-phenylquinolin-2-one
CID 134247952
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
methyl 2-(5-chloro-3-phenyl-1-benzofuran-2-yl)acetate
CID 139660117
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate
CID 13180324
(5-chloro-1-methyl-3-phenylindol-2-yl) hydrogen carbonate
CID 67802401
methyl 2-carbazol-9-ylacetate
CID 3745219
1-benzyl-6-chloro-3-[(E)-3-(1-methylbenzimidazol-2-yl)prop-2-enoyl]-4-phenylquinolin-2-one
CID 145149240
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate (CID 139937850) is methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate is COC(=O)Cn1c(=O)c(C(C)=O)c(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate?
The InChIKey is XRHNJKBUXBUNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4/c1-12(23)18-19(13-6-4-3-5-7-13)15-10-14(21)8-9-16(15)22(20(18)25)11-17(24)26-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate?
methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate has a molecular weight of 369.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetyl-6-chloro-2-oxo-4-phenylquinolin-1-yl)acetate is sourced from PubChem (CID 139937850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).