methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate

C15H17NO4 — CID 82248195

IUPACmethyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate
SMILESCOC(=O)CCc1ccc2c(OC)ccc(OC)c2n1
InChIInChI=1S/C15H17NO4/c1-18-12-7-8-13(19-2)15-11(12)6-4-10(16-15)5-9-14(17)20-3/h4,6-8H,5,9H2,1-3H3
InChIKeyXRVYAUUFSKHXRV-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.36
Rot. Bonds5

About methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate

methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate (PubChem CID 82248195) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate
PubChem CID82248195
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate
SMILESCOC(=O)CCc1ccc2c(OC)ccc(OC)c2n1
InChIInChI=1S/C15H17NO4/c1-18-12-7-8-13(19-2)15-11(12)6-4-10(16-15)5-9-14(17)20-3/h4,6-8H,5,9H2,1-3H3
InChIKeyXRVYAUUFSKHXRV-UHFFFAOYSA-N
XLogP2.36
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

(5,8-dimethoxyquinolin-2-yl)methanamine
CID 82241956
methyl 3-(8-chloroquinolin-2-yl)propanoate
CID 82244790
5,8-dimethoxyquinoline-2-carboxamide
CID 82242899
methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate
CID 82578176
methyl 3-(6,7-difluoroquinolin-2-yl)propanoate
CID 82244958
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
(8-fluoro-5-methoxyquinolin-2-yl)methanamine
CID 102941402
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
methyl 3-(7,8-diacetyloxynaphthalen-2-yl)propanoate
CID 11530016
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
methyl 4-(2-fluoro-3,4-dimethoxyphenyl)butanoate
CID 58147667
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate?
The IUPAC name of methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate (CID 82248195) is methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate?
The canonical SMILES for methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate is COC(=O)CCc1ccc2c(OC)ccc(OC)c2n1.
What is the InChIKey of methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate?
The InChIKey is XRVYAUUFSKHXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-12-7-8-13(19-2)15-11(12)6-4-10(16-15)5-9-14(17)20-3/h4,6-8H,5,9H2,1-3H3.
What are the key properties of methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate?
methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate has a molecular weight of 275.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate is sourced from PubChem (CID 82248195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).