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

C25H28N8 — CID 155510916

IUPAC7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine
SMILESCCN1CCCN(c2ncc(-c3cc4nccc(Nc5cnccn5)c4cc3C)cn2)CC1
InChIInChI=1S/C25H28N8/c1-3-32-9-4-10-33(12-11-32)25-29-15-19(16-30-25)20-14-23-21(13-18(20)2)22(5-6-27-23)31-24-17-26-7-8-28-24/h5-8,13-17H,3-4,9-12H2,1-2H3,(H,27,28,31)
InChIKeyBOVLQOMOCXPOAG-UHFFFAOYSA-N
MW440.56 g/mol
LogP4.07
Rot. Bonds5

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

7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine (PubChem CID 155510916) has the molecular formula C25H28N8 and a molecular weight of 440.56 g/mol. Its IUPAC name is 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine
PubChem CID155510916
Molecular FormulaC25H28N8
Molecular Weight440.56 g/mol
Exact Mass440.24
IUPAC Name7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine
SMILESCCN1CCCN(c2ncc(-c3cc4nccc(Nc5cnccn5)c4cc3C)cn2)CC1
InChIInChI=1S/C25H28N8/c1-3-32-9-4-10-33(12-11-32)25-29-15-19(16-30-25)20-14-23-21(13-18(20)2)22(5-6-27-23)31-24-17-26-7-8-28-24/h5-8,13-17H,3-4,9-12H2,1-2H3,(H,27,28,31)
InChIKeyBOVLQOMOCXPOAG-UHFFFAOYSA-N
XLogP4.07
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.07
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]-6-methyl-N-pyrazin-2-ylquinolin-4-amine?
The IUPAC name of 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine (CID 155510916) is 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine.
What is the SMILES notation for 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine?
The canonical SMILES for 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine is CCN1CCCN(c2ncc(-c3cc4nccc(Nc5cnccn5)c4cc3C)cn2)CC1.
What is the InChIKey of 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine?
The InChIKey is BOVLQOMOCXPOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8/c1-3-32-9-4-10-33(12-11-32)25-29-15-19(16-30-25)20-14-23-21(13-18(20)2)22(5-6-27-23)31-24-17-26-7-8-28-24/h5-8,13-17H,3-4,9-12H2,1-2H3,(H,27,28,31).
What are the key properties of 7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine?
7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-6-methyl-N-pyrazin-2-ylquinolin-4-amine has a molecular weight of 440.56 g/mol, XLogP of 4.07, 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]-6-methyl-N-pyrazin-2-ylquinolin-4-amine is sourced from PubChem (CID 155510916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).