6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline

C15H16ClN5 — CID 57395703

IUPAC6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline
SMILESCc1[nH]nc2nc3ccc(Cl)cc3c(N3CCNCC3)c12
InChIInChI=1S/C15H16ClN5/c1-9-13-14(21-6-4-17-5-7-21)11-8-10(16)2-3-12(11)18-15(13)20-19-9/h2-3,8,17H,4-7H2,1H3,(H,18,19,20)
InChIKeyZVZABYFRKPBBCU-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.48
Rot. Bonds1

About 6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline

6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline (PubChem CID 57395703) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline
PubChem CID57395703
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline
SMILESCc1[nH]nc2nc3ccc(Cl)cc3c(N3CCNCC3)c12
InChIInChI=1S/C15H16ClN5/c1-9-13-14(21-6-4-17-5-7-21)11-8-10(16)2-3-12(11)18-15(13)20-19-9/h2-3,8,17H,4-7H2,1H3,(H,18,19,20)
InChIKeyZVZABYFRKPBBCU-UHFFFAOYSA-N
XLogP2.48
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline (CID 57395703) is 6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline is Cc1[nH]nc2nc3ccc(Cl)cc3c(N3CCNCC3)c12.
What is the InChIKey of 6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is ZVZABYFRKPBBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-9-13-14(21-6-4-17-5-7-21)11-8-10(16)2-3-12(11)18-15(13)20-19-9/h2-3,8,17H,4-7H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline?
6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 301.78 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-4-piperazin-1-yl-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 57395703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).