4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

C18H15N5 — CID 5307993

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESc1ccc2c(c1)CCCN2c1nc2ccccc2n2cnnc12
InChIInChI=1S/C18H15N5/c1-3-9-15-13(6-1)7-5-11-22(15)17-18-21-19-12-23(18)16-10-4-2-8-14(16)20-17/h1-4,6,8-10,12H,5,7,11H2
InChIKeyZBKRLQLGOYDKLA-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.36
Rot. Bonds1

About 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 5307993) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID5307993
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESc1ccc2c(c1)CCCN2c1nc2ccccc2n2cnnc12
InChIInChI=1S/C18H15N5/c1-3-9-15-13(6-1)7-5-11-22(15)17-18-21-19-12-23(18)16-10-4-2-8-14(16)20-17/h1-4,6,8-10,12H,5,7,11H2
InChIKeyZBKRLQLGOYDKLA-UHFFFAOYSA-N
XLogP3.36
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
CID 156537559
8-bromo-5-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline
CID 156557584
4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7304641
8-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 58328680
3-(2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985180
N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5309921
3-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethyl-1,2,4-triazin-5-amine
CID 112958207
4-(2,3-dihydroindol-1-yl)-8-methyltetrazolo[1,5-a]quinoxaline
CID 20917193
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 80980277
1-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 22531526
1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 110875036
[4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]hydrazine
CID 156536871

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 5307993) is 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is c1ccc2c(c1)CCCN2c1nc2ccccc2n2cnnc12.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is ZBKRLQLGOYDKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-3-9-15-13(6-1)7-5-11-22(15)17-18-21-19-12-23(18)16-10-4-2-8-14(16)20-17/h1-4,6,8-10,12H,5,7,11H2.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 301.35 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 5307993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).