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

C23H24N8 — CID 155528067

IUPAC8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCc1c(-c2cnc(N3CCN(C)CC3)nc2)ccc2c(Nc3cnccn3)ccnc12
InChIInChI=1S/C23H24N8/c1-16-18(17-13-27-23(28-14-17)31-11-9-30(2)10-12-31)3-4-19-20(5-6-26-22(16)19)29-21-15-24-7-8-25-21/h3-8,13-15H,9-12H2,1-2H3,(H,25,26,29)
InChIKeyKVBOLQLYXGWERK-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.29
Rot. Bonds4

About 8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine

8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155528067) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is 8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155528067
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCc1c(-c2cnc(N3CCN(C)CC3)nc2)ccc2c(Nc3cnccn3)ccnc12
InChIInChI=1S/C23H24N8/c1-16-18(17-13-27-23(28-14-17)31-11-9-30(2)10-12-31)3-4-19-20(5-6-26-22(16)19)29-21-15-24-7-8-25-21/h3-8,13-15H,9-12H2,1-2H3,(H,25,26,29)
InChIKeyKVBOLQLYXGWERK-UHFFFAOYSA-N
XLogP3.29
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 155528067) is 8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is Cc1c(-c2cnc(N3CCN(C)CC3)nc2)ccc2c(Nc3cnccn3)ccnc12.
What is the InChIKey of 8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is KVBOLQLYXGWERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8/c1-16-18(17-13-27-23(28-14-17)31-11-9-30(2)10-12-31)3-4-19-20(5-6-26-22(16)19)29-21-15-24-7-8-25-21/h3-8,13-15H,9-12H2,1-2H3,(H,25,26,29).
What are the key properties of 8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 412.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155528067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).