methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate

C20H20N2O2 — CID 10781962

IUPACmethyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate
SMILESCOC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H20N2O2/c1-22(2)13-16-18(20(23)24-3)15-11-7-8-12-17(15)21-19(16)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyGKMAQBUJCWTXNN-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.75
Rot. Bonds4

About methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate

methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate (PubChem CID 10781962) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate
PubChem CID10781962
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Namemethyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate
SMILESCOC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H20N2O2/c1-22(2)13-16-18(20(23)24-3)15-11-7-8-12-17(15)21-19(16)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyGKMAQBUJCWTXNN-UHFFFAOYSA-N
XLogP3.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate 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 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate?
The IUPAC name of methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate (CID 10781962) is methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate?
The canonical SMILES for methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate is COC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate?
The InChIKey is GKMAQBUJCWTXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-22(2)13-16-18(20(23)24-3)15-11-7-8-12-17(15)21-19(16)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3.
What are the key properties of methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate?
methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 10781962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).