methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate

C20H20N2O2 — CID 110435406

IUPACmethyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate
SMILESCOC(=O)Cc1cc(Nc2cc(C)cc(C)c2)c2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-13-8-14(2)10-15(9-13)22-19-11-16(12-20(23)24-3)21-18-7-5-4-6-17(18)19/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyKIZPBYJMDHBJIV-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.31
Rot. Bonds4

About methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate

methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate (PubChem CID 110435406) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate
PubChem CID110435406
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Namemethyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate
SMILESCOC(=O)Cc1cc(Nc2cc(C)cc(C)c2)c2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-13-8-14(2)10-15(9-13)22-19-11-16(12-20(23)24-3)21-18-7-5-4-6-17(18)19/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyKIZPBYJMDHBJIV-UHFFFAOYSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate 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 2-[4-(2,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435426
2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
CID 110435464
2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid
CID 110435485
2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid
CID 110435504
2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435483
2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid
CID 110435490
2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
CID 110435469
2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435512
2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid
CID 110435510
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
methyl 2-(2-bromoquinolin-4-yl)acetate
CID 90316081
methyl 2-[4-(4-imidazol-1-ylbutylamino)quinolin-2-yl]acetate
CID 110432657

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate (CID 110435406) is methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate is COC(=O)Cc1cc(Nc2cc(C)cc(C)c2)c2ccccc2n1.
What is the InChIKey of methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate?
The InChIKey is KIZPBYJMDHBJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-8-14(2)10-15(9-13)22-19-11-16(12-20(23)24-3)21-18-7-5-4-6-17(18)19/h4-11H,12H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate?
methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate has a molecular weight of 320.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate is sourced from PubChem (CID 110435406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).