propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate

C21H19Cl2NO2 — CID 19648340

IUPACpropan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3Cl)cc(C(=O)OC(C)C)c2c1
InChIInChI=1S/C21H19Cl2NO2/c1-11(2)26-21(25)17-10-19(15-6-5-14(22)9-18(15)23)24-20-13(4)7-12(3)8-16(17)20/h5-11H,1-4H3
InChIKeyVNWLGYVNPLUBCR-UHFFFAOYSA-N
MW388.29 g/mol
LogP6.39
Rot. Bonds3

About propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate

propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate (PubChem CID 19648340) has the molecular formula C21H19Cl2NO2 and a molecular weight of 388.29 g/mol. Its IUPAC name is propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate
PubChem CID19648340
Molecular FormulaC21H19Cl2NO2
Molecular Weight388.29 g/mol
Exact Mass387.08
IUPAC Namepropan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3Cl)cc(C(=O)OC(C)C)c2c1
InChIInChI=1S/C21H19Cl2NO2/c1-11(2)26-21(25)17-10-19(15-6-5-14(22)9-18(15)23)24-20-13(4)7-12(3)8-16(17)20/h5-11H,1-4H3
InChIKeyVNWLGYVNPLUBCR-UHFFFAOYSA-N
XLogP6.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.29
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648262
(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648166
2-methylpropyl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648264
2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
CID 3286939
propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate
CID 82552200
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647542
ethyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261151
S-(4-methylphenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carbothioate
CID 19648178
methyl 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648155

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate?
The IUPAC name of propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate (CID 19648340) is propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate?
The canonical SMILES for propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate is Cc1cc(C)c2nc(-c3ccc(Cl)cc3Cl)cc(C(=O)OC(C)C)c2c1.
What is the InChIKey of propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate?
The InChIKey is VNWLGYVNPLUBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2/c1-11(2)26-21(25)17-10-19(15-6-5-14(22)9-18(15)23)24-20-13(4)7-12(3)8-16(17)20/h5-11H,1-4H3.
What are the key properties of propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate?
propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate has a molecular weight of 388.29 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 19648340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).