methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate

C14H13Cl2NO3 — CID 60626066

IUPACmethyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C14H13Cl2NO3/c1-7-4-5-9-10(15)6-11(16)13(12(9)17-7)20-8(2)14(18)19-3/h4-6,8H,1-3H3
InChIKeyRRIVOVRLZQXVSP-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.79
Rot. Bonds3

About methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate

methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate (PubChem CID 60626066) has the molecular formula C14H13Cl2NO3 and a molecular weight of 314.17 g/mol. Its IUPAC name is methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate
PubChem CID60626066
Molecular FormulaC14H13Cl2NO3
Molecular Weight314.17 g/mol
Exact Mass313.03
IUPAC Namemethyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C14H13Cl2NO3/c1-7-4-5-9-10(15)6-11(16)13(12(9)17-7)20-8(2)14(18)19-3/h4-6,8H,1-3H3
InChIKeyRRIVOVRLZQXVSP-UHFFFAOYSA-N
XLogP3.79
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate?
The IUPAC name of methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate (CID 60626066) is methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate?
The canonical SMILES for methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate is COC(=O)C(C)Oc1c(Cl)cc(Cl)c2ccc(C)nc12.
What is the InChIKey of methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate?
The InChIKey is RRIVOVRLZQXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3/c1-7-4-5-9-10(15)6-11(16)13(12(9)17-7)20-8(2)14(18)19-3/h4-6,8H,1-3H3.
What are the key properties of methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate?
methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate has a molecular weight of 314.17 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate is sourced from PubChem (CID 60626066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).