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

C24H26N8 — CID 155513039

IUPAC7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine
SMILESCc1cnc(Nc2ccnc3cc(-c4cnc(N5CCCN(C)CC5)nc4)ccc23)cn1
InChIInChI=1S/C24H26N8/c1-17-13-27-23(16-26-17)30-21-6-7-25-22-12-18(4-5-20(21)22)19-14-28-24(29-15-19)32-9-3-8-31(2)10-11-32/h4-7,12-16H,3,8-11H2,1-2H3,(H,25,27,30)
InChIKeyHISFANDRTZXNBO-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.68
Rot. Bonds4

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

7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine (PubChem CID 155513039) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine
PubChem CID155513039
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine
SMILESCc1cnc(Nc2ccnc3cc(-c4cnc(N5CCCN(C)CC5)nc4)ccc23)cn1
InChIInChI=1S/C24H26N8/c1-17-13-27-23(16-26-17)30-21-6-7-25-22-12-18(4-5-20(21)22)19-14-28-24(29-15-19)32-9-3-8-31(2)10-11-32/h4-7,12-16H,3,8-11H2,1-2H3,(H,25,27,30)
InChIKeyHISFANDRTZXNBO-UHFFFAOYSA-N
XLogP3.68
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[2-(4-methyl-1,4-diazepan-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-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine?
The IUPAC name of 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine (CID 155513039) is 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine.
What is the SMILES notation for 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine?
The canonical SMILES for 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine is Cc1cnc(Nc2ccnc3cc(-c4cnc(N5CCCN(C)CC5)nc4)ccc23)cn1.
What is the InChIKey of 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine?
The InChIKey is HISFANDRTZXNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-17-13-27-23(16-26-17)30-21-6-7-25-22-12-18(4-5-20(21)22)19-14-28-24(29-15-19)32-9-3-8-31(2)10-11-32/h4-7,12-16H,3,8-11H2,1-2H3,(H,25,27,30).
What are the key properties of 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine?
7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine has a molecular weight of 426.53 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine is sourced from PubChem (CID 155513039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).