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

C22H22N8 — CID 154731005

IUPAC7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C22H22N8/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)
InChIKeyHNQZZUWCYONRSR-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.98
Rot. Bonds4

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

7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 154731005) has the molecular formula C22H22N8 and a molecular weight of 398.47 g/mol. Its IUPAC name is 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID154731005
Molecular FormulaC22H22N8
Molecular Weight398.47 g/mol
Exact Mass398.20
IUPAC Name7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C22H22N8/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)
InChIKeyHNQZZUWCYONRSR-UHFFFAOYSA-N
XLogP2.98
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.98
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?
The IUPAC name of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 154731005) is 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is CN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1.
What is the InChIKey of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is HNQZZUWCYONRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8/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).
What are the key properties of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 398.47 g/mol, XLogP of 2.98, 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 is sourced from PubChem (CID 154731005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).