methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate

C16H19N3O3 — CID 142582046

IUPACmethyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(N2CCN(C)CC2)c2cc(O)ccc2n1
InChIInChI=1S/C16H19N3O3/c1-18-5-7-19(8-6-18)15-10-14(16(21)22-2)17-13-4-3-11(20)9-12(13)15/h3-4,9-10,20H,5-8H2,1-2H3
InChIKeyXHPUDDJFLFAODX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.48
Rot. Bonds2

About methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate

methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate (PubChem CID 142582046) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate
PubChem CID142582046
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(N2CCN(C)CC2)c2cc(O)ccc2n1
InChIInChI=1S/C16H19N3O3/c1-18-5-7-19(8-6-18)15-10-14(16(21)22-2)17-13-4-3-11(20)9-12(13)15/h3-4,9-10,20H,5-8H2,1-2H3
InChIKeyXHPUDDJFLFAODX-UHFFFAOYSA-N
XLogP1.48
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate?
The IUPAC name of methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate (CID 142582046) is methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate?
The canonical SMILES for methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate is COC(=O)c1cc(N2CCN(C)CC2)c2cc(O)ccc2n1.
What is the InChIKey of methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate?
The InChIKey is XHPUDDJFLFAODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18-5-7-19(8-6-18)15-10-14(16(21)22-2)17-13-4-3-11(20)9-12(13)15/h3-4,9-10,20H,5-8H2,1-2H3.
What are the key properties of methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate?
methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-4-(4-methylpiperazin-1-yl)quinoline-2-carboxylate is sourced from PubChem (CID 142582046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).