5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine

C29H29FN8 — CID 11649146

IUPAC5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c4c(N)ncnn34)C2)CC1
InChIInChI=1S/C29H29FN8/c1-36-11-13-37(14-12-36)21-15-20(16-21)29-35-26(27-28(31)32-17-33-38(27)29)22-9-7-19-8-10-23(34-25(19)24(22)30)18-5-3-2-4-6-18/h2-10,17,20-21H,11-16H2,1H3,(H2,31,32,33)
InChIKeyRTGPQVHYQAWJEV-UHFFFAOYSA-N
MW508.61 g/mol
LogP4.22
Rot. Bonds4

About 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine

5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 11649146) has the molecular formula C29H29FN8 and a molecular weight of 508.61 g/mol. Its IUPAC name is 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID11649146
Molecular FormulaC29H29FN8
Molecular Weight508.61 g/mol
Exact Mass508.25
IUPAC Name5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c4c(N)ncnn34)C2)CC1
InChIInChI=1S/C29H29FN8/c1-36-11-13-37(14-12-36)21-15-20(16-21)29-35-26(27-28(31)32-17-33-38(27)29)22-9-7-19-8-10-23(34-25(19)24(22)30)18-5-3-2-4-6-18/h2-10,17,20-21H,11-16H2,1H3,(H2,31,32,33)
InChIKeyRTGPQVHYQAWJEV-UHFFFAOYSA-N
XLogP4.22
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.61
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine (CID 11649146) is 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine is CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c4c(N)ncnn34)C2)CC1.
What is the InChIKey of 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is RTGPQVHYQAWJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN8/c1-36-11-13-37(14-12-36)21-15-20(16-21)29-35-26(27-28(31)32-17-33-38(27)29)22-9-7-19-8-10-23(34-25(19)24(22)30)18-5-3-2-4-6-18/h2-10,17,20-21H,11-16H2,1H3,(H2,31,32,33).
What are the key properties of 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine?
5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 508.61 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 11649146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).