methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate

C24H33N5O3 — CID 118306162

IUPACmethyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1c2ccc(-c3cn(C)c(N4CCNCC4)n3)c(OC3CCC3)c2CCC1C
InChIInChI=1S/C24H33N5O3/c1-16-7-8-19-21(29(16)24(30)31-3)10-9-18(22(19)32-17-5-4-6-17)20-15-27(2)23(26-20)28-13-11-25-12-14-28/h9-10,15-17,25H,4-8,11-14H2,1-3H3
InChIKeyDGMVPOAXOWHHSV-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.34
Rot. Bonds4

About methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate

methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 118306162) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID118306162
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Namemethyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1c2ccc(-c3cn(C)c(N4CCNCC4)n3)c(OC3CCC3)c2CCC1C
InChIInChI=1S/C24H33N5O3/c1-16-7-8-19-21(29(16)24(30)31-3)10-9-18(22(19)32-17-5-4-6-17)20-15-27(2)23(26-20)28-13-11-25-12-14-28/h9-10,15-17,25H,4-8,11-14H2,1-3H3
InChIKeyDGMVPOAXOWHHSV-UHFFFAOYSA-N
XLogP3.34
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate (CID 118306162) is methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate is COC(=O)N1c2ccc(-c3cn(C)c(N4CCNCC4)n3)c(OC3CCC3)c2CCC1C.
What is the InChIKey of methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is DGMVPOAXOWHHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-16-7-8-19-21(29(16)24(30)31-3)10-9-18(22(19)32-17-5-4-6-17)20-15-27(2)23(26-20)28-13-11-25-12-14-28/h9-10,15-17,25H,4-8,11-14H2,1-3H3.
What are the key properties of methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate?
methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 439.56 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclobutyloxy-2-methyl-6-(1-methyl-2-piperazin-1-ylimidazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 118306162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).