methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate

C15H15NO2 — CID 83765886

IUPACmethyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C15H15NO2/c1-10-4-6-14-13(8-10)11(2)9-12(16-14)5-7-15(17)18-3/h4-9H,1-3H3/b7-5+
InChIKeyUJXYVQVVRLAZME-FNORWQNLSA-N
MW241.29 g/mol
LogP3.04
Rot. Bonds2

About methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate

methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate (PubChem CID 83765886) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate
PubChem CID83765886
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C15H15NO2/c1-10-4-6-14-13(8-10)11(2)9-12(16-14)5-7-15(17)18-3/h4-9H,1-3H3/b7-5+
InChIKeyUJXYVQVVRLAZME-FNORWQNLSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate 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

(E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoic acid
CID 68678716
3-(4,6-dimethylquinolin-2-yl)prop-2-enoic acid
CID 68678717
ethyl (E)-3-(6-chloro-4-methylquinolin-2-yl)prop-2-enoate
CID 82579965
methyl 3-[4-methyl-2-(trifluoromethyl)phenyl]prop-2-enoate
CID 90755043
methyl 3-(2-methoxy-4-methylphenyl)prop-2-enoate
CID 74833578
methyl (E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoate
CID 42638371
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
methyl 3-(4,6-dimethylquinolin-2-yl)propanoate
CID 82578143
methyl (E)-3-(4-formyl-3-methylphenyl)prop-2-enoate
CID 138643130
3-(3-methoxy-3-oxoprop-1-enyl)-4-methylbenzoic acid
CID 169479183
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate (CID 83765886) is methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate is COC(=O)/C=C/c1cc(C)c2cc(C)ccc2n1.
What is the InChIKey of methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate?
The InChIKey is UJXYVQVVRLAZME-FNORWQNLSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-4-6-14-13(8-10)11(2)9-12(16-14)5-7-15(17)18-3/h4-9H,1-3H3/b7-5+.
What are the key properties of methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate?
methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate is sourced from PubChem (CID 83765886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).