4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline

C17H19N5 — CID 22032346

IUPAC4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline
SMILESCN1CCN(c2ccnc3ccc(-c4cn[nH]c4)cc23)CC1
InChIInChI=1S/C17H19N5/c1-21-6-8-22(9-7-21)17-4-5-18-16-3-2-13(10-15(16)17)14-11-19-20-12-14/h2-5,10-12H,6-9H2,1H3,(H,19,20)
InChIKeyVBUOSUMBWOVAAD-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.38
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline

4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline (PubChem CID 22032346) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline
PubChem CID22032346
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline
SMILESCN1CCN(c2ccnc3ccc(-c4cn[nH]c4)cc23)CC1
InChIInChI=1S/C17H19N5/c1-21-6-8-22(9-7-21)17-4-5-18-16-3-2-13(10-15(16)17)14-11-19-20-12-14/h2-5,10-12H,6-9H2,1H3,(H,19,20)
InChIKeyVBUOSUMBWOVAAD-UHFFFAOYSA-N
XLogP2.38
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 161469747
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 59860128
6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride
CID 159516056
5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
CID 70798379
2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol
CID 174683063
6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
CID 22032423
4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 22031719
6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinoline
CID 23537619
4-[4-(2-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;hydrochloride
CID 22032454
6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinoline
CID 68812028
4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine
CID 132554244
4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031982

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline (CID 22032346) is 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline is CN1CCN(c2ccnc3ccc(-c4cn[nH]c4)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline?
The InChIKey is VBUOSUMBWOVAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-21-6-8-22(9-7-21)17-4-5-18-16-3-2-13(10-15(16)17)14-11-19-20-12-14/h2-5,10-12H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline?
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline has a molecular weight of 293.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 22032346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).