methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate

C18H22N4O3 — CID 56790422

IUPACmethyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2nc(N3CCN(C(=O)N(C)C)CC3)ccc12
InChIInChI=1S/C18H22N4O3/c1-20(2)18(24)22-11-9-21(10-12-22)16-8-7-13-14(17(23)25-3)5-4-6-15(13)19-16/h4-8H,9-12H2,1-3H3
InChIKeySIYKUDLBGCEFHB-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.83
Rot. Bonds2

About methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate

methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate (PubChem CID 56790422) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate
PubChem CID56790422
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namemethyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2nc(N3CCN(C(=O)N(C)C)CC3)ccc12
InChIInChI=1S/C18H22N4O3/c1-20(2)18(24)22-11-9-21(10-12-22)16-8-7-13-14(17(23)25-3)5-4-6-15(13)19-16/h4-8H,9-12H2,1-3H3
InChIKeySIYKUDLBGCEFHB-UHFFFAOYSA-N
XLogP1.83
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-5-carboxylate
CID 58228256
N,N-dimethyl-4-(5-nitro-6-phenyl-2-pyridinyl)piperazine-1-carboxamide
CID 133409262
methyl cinnoline-5-carboxylate
CID 133080936
methyl acridine-1-carboxylate
CID 54560619
4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid
CID 11782518
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
CID 91502477
4-(2-amino-3-methoxycarbonylphenyl)piperazine-1-carboxylic acid
CID 176889718
2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid
CID 174843899
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate?
The IUPAC name of methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate (CID 56790422) is methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate.
What is the SMILES notation for methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate?
The canonical SMILES for methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate is COC(=O)c1cccc2nc(N3CCN(C(=O)N(C)C)CC3)ccc12.
What is the InChIKey of methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate?
The InChIKey is SIYKUDLBGCEFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-20(2)18(24)22-11-9-21(10-12-22)16-8-7-13-14(17(23)25-3)5-4-6-15(13)19-16/h4-8H,9-12H2,1-3H3.
What are the key properties of methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate?
methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(dimethylcarbamoyl)piperazin-1-yl]quinoline-5-carboxylate is sourced from PubChem (CID 56790422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).