methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate

C15H17NO3 — CID 82578206

IUPACmethyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate
SMILESCOC(=O)CCc1cc(C)nc2cc(OC)ccc12
InChIInChI=1S/C15H17NO3/c1-10-8-11(4-7-15(17)19-3)13-6-5-12(18-2)9-14(13)16-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyPDHCCPJMMBSREI-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.66
Rot. Bonds4

About methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate

methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate (PubChem CID 82578206) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate
PubChem CID82578206
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate
SMILESCOC(=O)CCc1cc(C)nc2cc(OC)ccc12
InChIInChI=1S/C15H17NO3/c1-10-8-11(4-7-15(17)19-3)13-6-5-12(18-2)9-14(13)16-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyPDHCCPJMMBSREI-UHFFFAOYSA-N
XLogP2.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(7-methoxy-2-methylquinolin-4-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

methyl 3-(6-iodo-2-methylquinolin-4-yl)propanoate
CID 82578245
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
N-(2-aminoethyl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 119061251
methyl 3-(2-formyl-4-methoxyphenyl)propanoate
CID 87139942
4-bromo-7-methoxy-2-methylquinoline
CID 11550580
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate
CID 82580013
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
N-tert-butyl-7-methoxy-2-methylquinolin-4-amine
CID 110433200
N,N-diethyl-7-methoxy-2-methylquinolin-4-amine
CID 71151890

Frequently Asked Questions

What is the IUPAC name of methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate?
The IUPAC name of methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate (CID 82578206) is methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate.
What is the SMILES notation for methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate?
The canonical SMILES for methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate is COC(=O)CCc1cc(C)nc2cc(OC)ccc12.
What is the InChIKey of methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate?
The InChIKey is PDHCCPJMMBSREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-8-11(4-7-15(17)19-3)13-6-5-12(18-2)9-14(13)16-10/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate?
methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate has a molecular weight of 259.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate is sourced from PubChem (CID 82578206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).