[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate

C22H22N2O3 — CID 2083757

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)c2ccccc2n1
InChIInChI=1S/C22H22N2O3/c1-15(2)24(17-9-5-4-6-10-17)21(25)14-27-22(26)19-13-16(3)23-20-12-8-7-11-18(19)20/h4-13,15H,14H2,1-3H3
InChIKeyFEWFQJSWHFGLPQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.14
Rot. Bonds5

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2083757) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
PubChem CID2083757
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)c2ccccc2n1
InChIInChI=1S/C22H22N2O3/c1-15(2)24(17-9-5-4-6-10-17)21(25)14-27-22(26)19-13-16(3)23-20-12-8-7-11-18(19)20/h4-13,15H,14H2,1-3H3
InChIKeyFEWFQJSWHFGLPQ-UHFFFAOYSA-N
XLogP4.14
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate
CID 35778472
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577361
[2-(butan-2-ylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 18074137
benzyl 2-methylquinoline-4-carboxylate
CID 804130
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 55400967
[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8675808
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8577464
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 55398558
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
CID 7472403
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577430

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate (CID 2083757) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)c2ccccc2n1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is FEWFQJSWHFGLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15(2)24(17-9-5-4-6-10-17)21(25)14-27-22(26)19-13-16(3)23-20-12-8-7-11-18(19)20/h4-13,15H,14H2,1-3H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 4.14, 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-methylquinoline-4-carboxylate is sourced from PubChem (CID 2083757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).