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

C24H26N8 — CID 155522090

IUPAC7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCCN1CCCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C24H26N8/c1-2-31-10-3-11-32(13-12-31)24-28-15-19(16-29-24)18-4-5-20-21(6-7-26-22(20)14-18)30-23-17-25-8-9-27-23/h4-9,14-17H,2-3,10-13H2,1H3,(H,26,27,30)
InChIKeyUTKMGUYBIDQSEZ-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.76
Rot. Bonds5

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

7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155522090) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155522090
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCCN1CCCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1
InChIInChI=1S/C24H26N8/c1-2-31-10-3-11-32(13-12-31)24-28-15-19(16-29-24)18-4-5-20-21(6-7-26-22(20)14-18)30-23-17-25-8-9-27-23/h4-9,14-17H,2-3,10-13H2,1H3,(H,26,27,30)
InChIKeyUTKMGUYBIDQSEZ-UHFFFAOYSA-N
XLogP3.76
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
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-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 155522090) is 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is CCN1CCCN(c2ncc(-c3ccc4c(Nc5cnccn5)ccnc4c3)cn2)CC1.
What is the InChIKey of 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is UTKMGUYBIDQSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-2-31-10-3-11-32(13-12-31)24-28-15-19(16-29-24)18-4-5-20-21(6-7-26-22(20)14-18)30-23-17-25-8-9-27-23/h4-9,14-17H,2-3,10-13H2,1H3,(H,26,27,30).
What are the key properties of 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 426.53 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155522090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).