propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

C22H23NO2 — CID 19648262

IUPACpropan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OC(C)C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C22H23NO2/c1-13(2)25-22(24)19-12-20(17-8-6-14(3)7-9-17)23-21-16(5)10-15(4)11-18(19)21/h6-13H,1-5H3
InChIKeyDXZJCIJQQNMPPL-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.39
Rot. Bonds3

About propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate (PubChem CID 19648262) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
PubChem CID19648262
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Namepropan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OC(C)C)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C22H23NO2/c1-13(2)25-22(24)19-12-20(17-8-6-14(3)7-9-17)23-21-16(5)10-15(4)11-18(19)21/h6-13H,1-5H3
InChIKeyDXZJCIJQQNMPPL-UHFFFAOYSA-N
XLogP5.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-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

Related Compounds

2-methylpropyl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648264
propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648340
(3,4-dimethylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648258
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261151
(2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261744
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648243
(4-tert-butylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648216

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The IUPAC name of propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate (CID 19648262) is propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The canonical SMILES for propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)OC(C)C)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The InChIKey is DXZJCIJQQNMPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-13(2)25-22(24)19-12-20(17-8-6-14(3)7-9-17)23-21-16(5)10-15(4)11-18(19)21/h6-13H,1-5H3.
What are the key properties of propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate?
propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 19648262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).