3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline

C18H15N7 — CID 121279070

IUPAC3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline
SMILESCn1c(CCc2nc3ncccn3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C18H15N7/c1-24-14-6-5-13-12(4-2-9-19-13)17(14)22-16(24)8-7-15-21-18-20-10-3-11-25(18)23-15/h2-6,9-11H,7-8H2,1H3
InChIKeyPSOVVOVFIFSUFR-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.34
Rot. Bonds3

About 3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline

3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline (PubChem CID 121279070) has the molecular formula C18H15N7 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline.

Molecular Properties

Compound Name3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline
PubChem CID121279070
Molecular FormulaC18H15N7
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline
SMILESCn1c(CCc2nc3ncccn3n2)nc2c3cccnc3ccc21
InChIInChI=1S/C18H15N7/c1-24-14-6-5-13-12(4-2-9-19-13)17(14)22-16(24)8-7-15-21-18-20-10-3-11-25(18)23-15/h2-6,9-11H,7-8H2,1H3
InChIKeyPSOVVOVFIFSUFR-UHFFFAOYSA-N
XLogP2.34
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline?
The IUPAC name of 3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline (CID 121279070) is 3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline.
What is the SMILES notation for 3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline?
The canonical SMILES for 3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline is Cn1c(CCc2nc3ncccn3n2)nc2c3cccnc3ccc21.
What is the InChIKey of 3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline?
The InChIKey is PSOVVOVFIFSUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7/c1-24-14-6-5-13-12(4-2-9-19-13)17(14)22-16(24)8-7-15-21-18-20-10-3-11-25(18)23-15/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline?
3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline has a molecular weight of 329.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline is sourced from PubChem (CID 121279070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).