[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

C24H26N2O3 — CID 55400967

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)N(C)C(C)C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C24H26N2O3/c1-15(2)26(5)23(27)14-29-24(28)20-13-22(18-11-10-16(3)12-17(18)4)25-21-9-7-6-8-19(20)21/h6-13,15H,14H2,1-5H3
InChIKeyDWRUBTWBRVSNLE-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.54
Rot. Bonds5

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate (PubChem CID 55400967) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
PubChem CID55400967
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)N(C)C(C)C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C24H26N2O3/c1-15(2)26(5)23(27)14-29-24(28)20-13-22(18-11-10-16(3)12-17(18)4)25-21-9-7-6-8-19(20)21/h6-13,15H,14H2,1-5H3
InChIKeyDWRUBTWBRVSNLE-UHFFFAOYSA-N
XLogP4.54
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 42971764
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16544043
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 55398558
N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide
CID 112794088
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 3952785
2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide
CID 4119732
ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689284
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 2083757
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2,6-dimethylquinoline-4-carboxylate
CID 35778472
N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 19955910
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16570188
[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2092168

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate (CID 55400967) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)C(C)C)c3ccccc3n2)c(C)c1.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
The InChIKey is DWRUBTWBRVSNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-15(2)26(5)23(27)14-29-24(28)20-13-22(18-11-10-16(3)12-17(18)4)25-21-9-7-6-8-19(20)21/h6-13,15H,14H2,1-5H3.
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 55400967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).