2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C18H12ClN7 — CID 137362595

IUPAC2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESClc1nc(Nc2cn(-c3cnc4ccccc4c3)cn2)c2cccn2n1
InChIInChI=1S/C18H12ClN7/c19-18-23-17(15-6-3-7-26(15)24-18)22-16-10-25(11-21-16)13-8-12-4-1-2-5-14(12)20-9-13/h1-11H,(H,22,23,24)
InChIKeyMYSDQALYPSOJMP-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 137362595) has the molecular formula C18H12ClN7 and a molecular weight of 361.80 g/mol. Its IUPAC name is 2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID137362595
Molecular FormulaC18H12ClN7
Molecular Weight361.80 g/mol
Exact Mass361.08
IUPAC Name2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESClc1nc(Nc2cn(-c3cnc4ccccc4c3)cn2)c2cccn2n1
InChIInChI=1S/C18H12ClN7/c19-18-23-17(15-6-3-7-26(15)24-18)22-16-10-25(11-21-16)13-8-12-4-1-2-5-14(12)20-9-13/h1-11H,(H,22,23,24)
InChIKeyMYSDQALYPSOJMP-UHFFFAOYSA-N
XLogP3.86
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 137362595) is 2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Clc1nc(Nc2cn(-c3cnc4ccccc4c3)cn2)c2cccn2n1.
What is the InChIKey of 2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MYSDQALYPSOJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN7/c19-18-23-17(15-6-3-7-26(15)24-18)22-16-10-25(11-21-16)13-8-12-4-1-2-5-14(12)20-9-13/h1-11H,(H,22,23,24).
What are the key properties of 2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 361.80 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-quinolin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 137362595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).