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

C23H24N8 — CID 155514296

IUPAC7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C23H24N8/c1-2-30-9-11-31(12-10-30)23-27-14-18(15-28-23)17-3-4-19-20(5-6-25-21(19)13-17)29-22-16-24-7-8-26-22/h3-8,13-16H,2,9-12H2,1H3,(H,25,26,29)
InChIKeyQTCSSSCTITVYDH-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.37
Rot. Bonds5

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

7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155514296) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is 7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155514296
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C23H24N8/c1-2-30-9-11-31(12-10-30)23-27-14-18(15-28-23)17-3-4-19-20(5-6-25-21(19)13-17)29-22-16-24-7-8-26-22/h3-8,13-16H,2,9-12H2,1H3,(H,25,26,29)
InChIKeyQTCSSSCTITVYDH-UHFFFAOYSA-N
XLogP3.37
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 155514296) is 7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is CCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1.
What is the InChIKey of 7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is QTCSSSCTITVYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8/c1-2-30-9-11-31(12-10-30)23-27-14-18(15-28-23)17-3-4-19-20(5-6-25-21(19)13-17)29-22-16-24-7-8-26-22/h3-8,13-16H,2,9-12H2,1H3,(H,25,26,29).
What are the key properties of 7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 412.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155514296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).