methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate

C13H14ClNO3 — CID 143235824

IUPACmethyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(C)Cc2ccc(Cl)cc21
InChIInChI=1S/C13H14ClNO3/c1-8-5-9-3-4-10(14)6-11(9)15(13(8)17)7-12(16)18-2/h3-4,6,8H,5,7H2,1-2H3
InChIKeyZXCHXKSNRKSNRW-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.04
Rot. Bonds2

About methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate

methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate (PubChem CID 143235824) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate
PubChem CID143235824
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Namemethyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(C)Cc2ccc(Cl)cc21
InChIInChI=1S/C13H14ClNO3/c1-8-5-9-3-4-10(14)6-11(9)15(13(8)17)7-12(16)18-2/h3-4,6,8H,5,7H2,1-2H3
InChIKeyZXCHXKSNRKSNRW-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate (CID 143235824) is methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate is COC(=O)CN1C(=O)C(C)Cc2ccc(Cl)cc21.
What is the InChIKey of methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
The InChIKey is ZXCHXKSNRKSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8-5-9-3-4-10(14)6-11(9)15(13(8)17)7-12(16)18-2/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate has a molecular weight of 267.71 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate is sourced from PubChem (CID 143235824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).