7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C20H16N4 — CID 66576767

IUPAC7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2n1-c1ccc(-c3cncc4ccccc34)cc1CC2
InChIInChI=1S/C20H16N4/c1-13-22-23-20-9-7-15-10-14(6-8-19(15)24(13)20)18-12-21-11-16-4-2-3-5-17(16)18/h2-6,8,10-12H,7,9H2,1H3
InChIKeyYYPWOUFRYYLCCO-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.89
Rot. Bonds1

About 7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 66576767) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID66576767
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2n1-c1ccc(-c3cncc4ccccc34)cc1CC2
InChIInChI=1S/C20H16N4/c1-13-22-23-20-9-7-15-10-14(6-8-19(15)24(13)20)18-12-21-11-16-4-2-3-5-17(16)18/h2-6,8,10-12H,7,9H2,1H3
InChIKeyYYPWOUFRYYLCCO-UHFFFAOYSA-N
XLogP3.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 66576767) is 7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Cc1nnc2n1-c1ccc(-c3cncc4ccccc34)cc1CC2.
What is the InChIKey of 7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is YYPWOUFRYYLCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-13-22-23-20-9-7-15-10-14(6-8-19(15)24(13)20)18-12-21-11-16-4-2-3-5-17(16)18/h2-6,8,10-12H,7,9H2,1H3.
What are the key properties of 7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 312.38 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isoquinolin-4-yl-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 66576767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).