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

C26H30N8 — CID 155565157

IUPAC6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCCCN1CCCN(c2ncc(-c3cc4nccc(Nc5cnccn5)c4cc3C)cn2)CC1
InChIInChI=1S/C26H30N8/c1-3-9-33-10-4-11-34(13-12-33)26-30-16-20(17-31-26)21-15-24-22(14-19(21)2)23(5-6-28-24)32-25-18-27-7-8-29-25/h5-8,14-18H,3-4,9-13H2,1-2H3,(H,28,29,32)
InChIKeyGXQFULLGDOAXMV-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.46
Rot. Bonds6

About 6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine

6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155565157) has the molecular formula C26H30N8 and a molecular weight of 454.58 g/mol. Its IUPAC name is 6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155565157
Molecular FormulaC26H30N8
Molecular Weight454.58 g/mol
Exact Mass454.26
IUPAC Name6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
SMILESCCCN1CCCN(c2ncc(-c3cc4nccc(Nc5cnccn5)c4cc3C)cn2)CC1
InChIInChI=1S/C26H30N8/c1-3-9-33-10-4-11-34(13-12-33)26-30-16-20(17-31-26)21-15-24-22(14-19(21)2)23(5-6-28-24)32-25-18-27-7-8-29-25/h5-8,14-18H,3-4,9-13H2,1-2H3,(H,28,29,32)
InChIKeyGXQFULLGDOAXMV-UHFFFAOYSA-N
XLogP4.46
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine (CID 155565157) is 6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is CCCN1CCCN(c2ncc(-c3cc4nccc(Nc5cnccn5)c4cc3C)cn2)CC1.
What is the InChIKey of 6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is GXQFULLGDOAXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8/c1-3-9-33-10-4-11-34(13-12-33)26-30-16-20(17-31-26)21-15-24-22(14-19(21)2)23(5-6-28-24)32-25-18-27-7-8-29-25/h5-8,14-18H,3-4,9-13H2,1-2H3,(H,28,29,32).
What are the key properties of 6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine?
6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 454.58 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155565157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).