6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline

C17H21N5O — CID 46239840

IUPAC6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCNCC3)c2c1
InChIInChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyLRBQTFPUUPFJQW-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.15
Rot. Bonds2

About 6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline

6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline (PubChem CID 46239840) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline
PubChem CID46239840
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCNCC3)c2c1
InChIInChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyLRBQTFPUUPFJQW-UHFFFAOYSA-N
XLogP2.15
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline (CID 46239840) is 6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline is COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCNCC3)c2c1.
What is the InChIKey of 6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is LRBQTFPUUPFJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21).
What are the key properties of 6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline?
6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 311.39 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,8-dimethyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 46239840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).