[1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate

C22H22N2O3 — CID 55466850

IUPAC[1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate
SMILESCc1ccc2nc(C)c(C(=O)OC(C)C(=O)N(C)c3ccccc3)cc2c1
InChIInChI=1S/C22H22N2O3/c1-14-10-11-20-17(12-14)13-19(15(2)23-20)22(26)27-16(3)21(25)24(4)18-8-6-5-7-9-18/h5-13,16H,1-4H3
InChIKeyZCJQHUDLCSHLLK-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.06
Rot. Bonds4

About [1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate

[1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate (PubChem CID 55466850) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate
PubChem CID55466850
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate
SMILESCc1ccc2nc(C)c(C(=O)OC(C)C(=O)N(C)c3ccccc3)cc2c1
InChIInChI=1S/C22H22N2O3/c1-14-10-11-20-17(12-14)13-19(15(2)23-20)22(26)27-16(3)21(25)24(4)18-8-6-5-7-9-18/h5-13,16H,1-4H3
InChIKeyZCJQHUDLCSHLLK-UHFFFAOYSA-N
XLogP4.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 2519746
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 7376908
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797953
2-O-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-O-[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 29248727
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2638176
[1-(N-methylanilino)-1-oxopropan-2-yl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 18226718
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 6915166
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 47009502
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626159
(1-oxo-1-phenylpropan-2-yl) 7-methoxy-2-methylquinoline-3-carboxylate
CID 42894703
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate
CID 55467180
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137569

Frequently Asked Questions

What is the IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate?
The IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate (CID 55466850) is [1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate?
The canonical SMILES for [1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate is Cc1ccc2nc(C)c(C(=O)OC(C)C(=O)N(C)c3ccccc3)cc2c1.
What is the InChIKey of [1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate?
The InChIKey is ZCJQHUDLCSHLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-10-11-20-17(12-14)13-19(15(2)23-20)22(26)27-16(3)21(25)24(4)18-8-6-5-7-9-18/h5-13,16H,1-4H3.
What are the key properties of [1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate?
[1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(N-methylanilino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 55466850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).