7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride

C22H23ClN8 — CID 155526861

IUPAC7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride
SMILESCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1.Cl
InChIInChI=1S/C22H22N8.ClH/c1-29-8-10-30(11-9-29)22-26-13-17(14-27-22)16-2-3-18-19(4-5-24-20(18)12-16)28-21-15-23-6-7-25-21;/h2-7,12-15H,8-11H2,1H3,(H,24,25,28);1H
InChIKeyFSEBETMSYYKUFQ-UHFFFAOYSA-N
MW434.94 g/mol
LogP3.40
Rot. Bonds4

About 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride

7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride (PubChem CID 155526861) has the molecular formula C22H23ClN8 and a molecular weight of 434.94 g/mol. Its IUPAC name is 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride
PubChem CID155526861
Molecular FormulaC22H23ClN8
Molecular Weight434.94 g/mol
Exact Mass434.17
IUPAC Name7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride
SMILESCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1.Cl
InChIInChI=1S/C22H22N8.ClH/c1-29-8-10-30(11-9-29)22-26-13-17(14-27-22)16-2-3-18-19(4-5-24-20(18)12-16)28-21-15-23-6-7-25-21;/h2-7,12-15H,8-11H2,1H3,(H,24,25,28);1H
InChIKeyFSEBETMSYYKUFQ-UHFFFAOYSA-N
XLogP3.40
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.94
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride?
The IUPAC name of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride (CID 155526861) is 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride.
What is the SMILES notation for 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride?
The canonical SMILES for 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride is CN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1.Cl.
What is the InChIKey of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride?
The InChIKey is FSEBETMSYYKUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8.ClH/c1-29-8-10-30(11-9-29)22-26-13-17(14-27-22)16-2-3-18-19(4-5-24-20(18)12-16)28-21-15-23-6-7-25-21;/h2-7,12-15H,8-11H2,1H3,(H,24,25,28);1H.
What are the key properties of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride?
7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride has a molecular weight of 434.94 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 155526861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).