7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine

C23H24N8 — CID 155559344

IUPAC7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine
SMILESCc1cnc(Nc2ccnc3cc(-c4cnc(N5CCN(C)CC5)nc4)ccc23)cn1
InChIInChI=1S/C23H24N8/c1-16-12-26-22(15-25-16)29-20-5-6-24-21-11-17(3-4-19(20)21)18-13-27-23(28-14-18)31-9-7-30(2)8-10-31/h3-6,11-15H,7-10H2,1-2H3,(H,24,26,29)
InChIKeyXFSLXBWEFZDQEM-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.29
Rot. Bonds4

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

7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine (PubChem CID 155559344) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine
PubChem CID155559344
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine
SMILESCc1cnc(Nc2ccnc3cc(-c4cnc(N5CCN(C)CC5)nc4)ccc23)cn1
InChIInChI=1S/C23H24N8/c1-16-12-26-22(15-25-16)29-20-5-6-24-21-11-17(3-4-19(20)21)18-13-27-23(28-14-18)31-9-7-30(2)8-10-31/h3-6,11-15H,7-10H2,1-2H3,(H,24,26,29)
InChIKeyXFSLXBWEFZDQEM-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

Analyze 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine?
The IUPAC name of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine (CID 155559344) is 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine.
What is the SMILES notation for 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine?
The canonical SMILES for 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine is Cc1cnc(Nc2ccnc3cc(-c4cnc(N5CCN(C)CC5)nc4)ccc23)cn1.
What is the InChIKey of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine?
The InChIKey is XFSLXBWEFZDQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8/c1-16-12-26-22(15-25-16)29-20-5-6-24-21-11-17(3-4-19(20)21)18-13-27-23(28-14-18)31-9-7-30(2)8-10-31/h3-6,11-15H,7-10H2,1-2H3,(H,24,26,29).
What are the key properties of 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine?
7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-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 7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine is sourced from PubChem (CID 155559344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).