[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate

C23H24N2O3 — CID 35778472

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)OCC(=O)N(c3ccccc3)C(C)C)c2c1
InChIInChI=1S/C23H24N2O3/c1-15(2)25(18-8-6-5-7-9-18)22(26)14-28-23(27)20-13-17(4)24-21-11-10-16(3)12-19(20)21/h5-13,15H,14H2,1-4H3
InChIKeyMFMJHJATAQNPRC-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.45
Rot. Bonds5

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate (PubChem CID 35778472) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate
PubChem CID35778472
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)OCC(=O)N(c3ccccc3)C(C)C)c2c1
InChIInChI=1S/C23H24N2O3/c1-15(2)25(18-8-6-5-7-9-18)22(26)14-28-23(27)20-13-17(4)24-21-11-10-16(3)12-19(20)21/h5-13,15H,14H2,1-4H3
InChIKeyMFMJHJATAQNPRC-UHFFFAOYSA-N
XLogP4.45
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 2083757
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577361
phenyl 2,6-dimethylquinoline-4-carboxylate
CID 18076219
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 55400967
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
CID 7472403
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,6-dimethylquinoline-4-carboxylate
CID 35795704
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dichlorobenzoate
CID 55314052
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 31543502
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066604
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-4-nitrobenzoate
CID 7149018

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate (CID 35778472) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate is Cc1ccc2nc(C)cc(C(=O)OCC(=O)N(c3ccccc3)C(C)C)c2c1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate?
The InChIKey is MFMJHJATAQNPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15(2)25(18-8-6-5-7-9-18)22(26)14-28-23(27)20-13-17(4)24-21-11-10-16(3)12-19(20)21/h5-13,15H,14H2,1-4H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 35778472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).