methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate

C13H12ClNO4 — CID 54773108

IUPACmethyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate
SMILESCOC(=O)Cn1ccc(=O)c2cc(OC)c(Cl)cc21
InChIInChI=1S/C13H12ClNO4/c1-18-12-5-8-10(6-9(12)14)15(4-3-11(8)16)7-13(17)19-2/h3-6H,7H2,1-2H3
InChIKeyHXFPIEFOZKISOR-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.84
Rot. Bonds3

About methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate

methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate (PubChem CID 54773108) has the molecular formula C13H12ClNO4 and a molecular weight of 281.70 g/mol. Its IUPAC name is methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate
PubChem CID54773108
Molecular FormulaC13H12ClNO4
Molecular Weight281.70 g/mol
Exact Mass281.05
IUPAC Namemethyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate
SMILESCOC(=O)Cn1ccc(=O)c2cc(OC)c(Cl)cc21
InChIInChI=1S/C13H12ClNO4/c1-18-12-5-8-10(6-9(12)14)15(4-3-11(8)16)7-13(17)19-2/h3-6H,7H2,1-2H3
InChIKeyHXFPIEFOZKISOR-UHFFFAOYSA-N
XLogP1.84
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate
CID 100802151
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-4-oxoquinolin-1-yl)acetamide
CID 100743429
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 100736984
3-(6-chloro-5-methoxyindol-1-yl)propanoic acid
CID 82499558
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111845
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 100734852
methyl 2-[6-chloro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91081498

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate (CID 54773108) is methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate is COC(=O)Cn1ccc(=O)c2cc(OC)c(Cl)cc21.
What is the InChIKey of methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate?
The InChIKey is HXFPIEFOZKISOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-18-12-5-8-10(6-9(12)14)15(4-3-11(8)16)7-13(17)19-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate?
methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate has a molecular weight of 281.70 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloro-6-methoxy-4-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 54773108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).