6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline

C17H19N3 — CID 134443689

IUPAC6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline
SMILESc1ccc2c(c1)CC(c1ccc3c(c1)NCCN3)CN2
InChIInChI=1S/C17H19N3/c1-2-4-15-13(3-1)9-14(11-20-15)12-5-6-16-17(10-12)19-8-7-18-16/h1-6,10,14,18-20H,7-9,11H2
InChIKeyUBMBBAIKDXZEBF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.28
Rot. Bonds1

About 6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline

6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 134443689) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID134443689
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline
SMILESc1ccc2c(c1)CC(c1ccc3c(c1)NCCN3)CN2
InChIInChI=1S/C17H19N3/c1-2-4-15-13(3-1)9-14(11-20-15)12-5-6-16-17(10-12)19-8-7-18-16/h1-6,10,14,18-20H,7-9,11H2
InChIKeyUBMBBAIKDXZEBF-UHFFFAOYSA-N
XLogP3.28
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
CID 101408194
3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106903175
3-[2-(3,4-dihydro-2H-chromen-6-yl)-2,3-dihydro-1-benzofuran-5-yl]-1,2,3,4-tetrahydroquinoline
CID 155185600
(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
CID 42080152
(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 125481085
3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 106780991
3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781776
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
molecular hydrogen;1,2,3,4-tetrahydroquinoxaline
CID 143824741
6-methyl-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902728
7-bromo-2-(1,2,3,4-tetrahydroquinolin-3-yl)-1,3-benzoxazole
CID 106902739
3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902639

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline (CID 134443689) is 6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline is c1ccc2c(c1)CC(c1ccc3c(c1)NCCN3)CN2.
What is the InChIKey of 6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is UBMBBAIKDXZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-4-15-13(3-1)9-14(11-20-15)12-5-6-16-17(10-12)19-8-7-18-16/h1-6,10,14,18-20H,7-9,11H2.
What are the key properties of 6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline?
6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 265.36 g/mol, XLogP of 3.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 134443689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).