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

C24H26N8 — CID 155513033

IUPAC7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCCCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C24H26N8/c1-2-9-31-10-12-32(13-11-31)24-28-15-19(16-29-24)18-3-4-20-21(5-6-26-22(20)14-18)30-23-17-25-7-8-27-23/h3-8,14-17H,2,9-13H2,1H3,(H,26,27,30)
InChIKeyLVVGHCDDFRBTEX-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.76
Rot. Bonds6

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

7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155513033) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155513033
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCCCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C24H26N8/c1-2-9-31-10-12-32(13-11-31)24-28-15-19(16-29-24)18-3-4-20-21(5-6-26-22(20)14-18)30-23-17-25-7-8-27-23/h3-8,14-17H,2,9-13H2,1H3,(H,26,27,30)
InChIKeyLVVGHCDDFRBTEX-UHFFFAOYSA-N
XLogP3.76
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 155513033) is 7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is CCCN1CCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1.
What is the InChIKey of 7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is LVVGHCDDFRBTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-2-9-31-10-12-32(13-11-31)24-28-15-19(16-29-24)18-3-4-20-21(5-6-26-22(20)14-18)30-23-17-25-7-8-27-23/h3-8,14-17H,2,9-13H2,1H3,(H,26,27,30).
What are the key properties of 7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 426.53 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155513033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).