2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline

C15H11N5 — CID 126666794

IUPAC2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline
SMILESc1ccc2c(c1)ncc1[nH]c(Cc3cnccn3)nc12
InChIInChI=1S/C15H11N5/c1-2-4-12-11(3-1)15-13(9-18-12)19-14(20-15)7-10-8-16-5-6-17-10/h1-6,8-9H,7H2,(H,19,20)
InChIKeyQTNIDYFLOWQYOR-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.49
Rot. Bonds2

About 2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline

2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline (PubChem CID 126666794) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline
PubChem CID126666794
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline
SMILESc1ccc2c(c1)ncc1[nH]c(Cc3cnccn3)nc12
InChIInChI=1S/C15H11N5/c1-2-4-12-11(3-1)15-13(9-18-12)19-14(20-15)7-10-8-16-5-6-17-10/h1-6,8-9H,7H2,(H,19,20)
InChIKeyQTNIDYFLOWQYOR-UHFFFAOYSA-N
XLogP2.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline (CID 126666794) is 2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline is c1ccc2c(c1)ncc1[nH]c(Cc3cnccn3)nc12.
What is the InChIKey of 2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline?
The InChIKey is QTNIDYFLOWQYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-2-4-12-11(3-1)15-13(9-18-12)19-14(20-15)7-10-8-16-5-6-17-10/h1-6,8-9H,7H2,(H,19,20).
What are the key properties of 2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline?
2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline has a molecular weight of 261.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 126666794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).