7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine

C24H26N8 — CID 155517863

IUPAC7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine
SMILESCc1nccnc1Nc1ccnc2cc(-c3cnc(N4CCCN(C)CC4)nc3)ccc12
InChIInChI=1S/C24H26N8/c1-17-23(27-9-8-25-17)30-21-6-7-26-22-14-18(4-5-20(21)22)19-15-28-24(29-16-19)32-11-3-10-31(2)12-13-32/h4-9,14-16H,3,10-13H2,1-2H3,(H,26,27,30)
InChIKeyNXDLTRWKLFKXJG-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.68
Rot. Bonds4

About 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine

7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine (PubChem CID 155517863) 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-(3-methylpyrazin-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine
PubChem CID155517863
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine
SMILESCc1nccnc1Nc1ccnc2cc(-c3cnc(N4CCCN(C)CC4)nc3)ccc12
InChIInChI=1S/C24H26N8/c1-17-23(27-9-8-25-17)30-21-6-7-26-22-14-18(4-5-20(21)22)19-15-28-24(29-16-19)32-11-3-10-31(2)12-13-32/h4-9,14-16H,3,10-13H2,1-2H3,(H,26,27,30)
InChIKeyNXDLTRWKLFKXJG-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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine?
The IUPAC name of 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine (CID 155517863) is 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-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-(3-methylpyrazin-2-yl)quinolin-4-amine?
The canonical SMILES for 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine is Cc1nccnc1Nc1ccnc2cc(-c3cnc(N4CCCN(C)CC4)nc3)ccc12.
What is the InChIKey of 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine?
The InChIKey is NXDLTRWKLFKXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-17-23(27-9-8-25-17)30-21-6-7-26-22-14-18(4-5-20(21)22)19-15-28-24(29-16-19)32-11-3-10-31(2)12-13-32/h4-9,14-16H,3,10-13H2,1-2H3,(H,26,27,30).
What are the key properties of 7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine?
7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-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-(3-methylpyrazin-2-yl)quinolin-4-amine is sourced from PubChem (CID 155517863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).