methyl 4-(2-methoxyanilino)quinoline-2-carboxylate

C18H16N2O3 — CID 53113238

IUPACmethyl 4-(2-methoxyanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2OC)c2ccccc2n1
InChIInChI=1S/C18H16N2O3/c1-22-17-10-6-5-9-14(17)20-15-11-16(18(21)23-2)19-13-8-4-3-7-12(13)15/h3-11H,1-2H3,(H,19,20)
InChIKeyUDRKMZLJPYCUOR-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.77
Rot. Bonds4

About methyl 4-(2-methoxyanilino)quinoline-2-carboxylate

methyl 4-(2-methoxyanilino)quinoline-2-carboxylate (PubChem CID 53113238) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 4-(2-methoxyanilino)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxyanilino)quinoline-2-carboxylate
PubChem CID53113238
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 4-(2-methoxyanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2OC)c2ccccc2n1
InChIInChI=1S/C18H16N2O3/c1-22-17-10-6-5-9-14(17)20-15-11-16(18(21)23-2)19-13-8-4-3-7-12(13)15/h3-11H,1-2H3,(H,19,20)
InChIKeyUDRKMZLJPYCUOR-UHFFFAOYSA-N
XLogP3.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2-methoxyanilino)quinoline-2-carboxylate 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 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277
methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
CID 45499064
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
methyl 4-(4-bromoanilino)quinoline-2-carboxylate
CID 45499074
methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate
CID 53113332
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929
methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate
CID 53113340
N-(2-methoxyphenyl)-4-methylquinolin-2-amine
CID 847633
4-(2-chloroanilino)quinoline-2-carboxylic acid
CID 63538967
methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
CID 53113369
methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
CID 53002401
methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxyanilino)quinoline-2-carboxylate?
The IUPAC name of methyl 4-(2-methoxyanilino)quinoline-2-carboxylate (CID 53113238) is methyl 4-(2-methoxyanilino)quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxyanilino)quinoline-2-carboxylate?
The canonical SMILES for methyl 4-(2-methoxyanilino)quinoline-2-carboxylate is COC(=O)c1cc(Nc2ccccc2OC)c2ccccc2n1.
What is the InChIKey of methyl 4-(2-methoxyanilino)quinoline-2-carboxylate?
The InChIKey is UDRKMZLJPYCUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-17-10-6-5-9-14(17)20-15-11-16(18(21)23-2)19-13-8-4-3-7-12(13)15/h3-11H,1-2H3,(H,19,20).
What are the key properties of methyl 4-(2-methoxyanilino)quinoline-2-carboxylate?
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxyanilino)quinoline-2-carboxylate is sourced from PubChem (CID 53113238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).