3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline

C14H13N5 — CID 106902586

IUPAC3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(c1nc3ncncc3[nH]1)CN2
InChIInChI=1S/C14H13N5/c1-2-4-11-9(3-1)5-10(6-16-11)13-18-12-7-15-8-17-14(12)19-13/h1-4,7-8,10,16H,5-6H2,(H,15,17,18,19)
InChIKeyYZNBOILLUZTWIG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.10
Rot. Bonds1

About 3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline

3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106902586) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106902586
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(c1nc3ncncc3[nH]1)CN2
InChIInChI=1S/C14H13N5/c1-2-4-11-9(3-1)5-10(6-16-11)13-18-12-7-15-8-17-14(12)19-13/h1-4,7-8,10,16H,5-6H2,(H,15,17,18,19)
InChIKeyYZNBOILLUZTWIG-UHFFFAOYSA-N
XLogP2.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7H-purin-8-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114401935
3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106903175
1-(7H-purin-8-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114401911
(3R)-3-(7H-purin-8-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 100702462
8-[4-(trifluoromethyl)cyclohexyl]-7H-purine
CID 114402527
3-pyrimidin-2-yl-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902639
3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106903185
8-(2,3-dihydro-1,4-benzodioxin-3-yl)-7H-purine
CID 114402597
2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 106893193
2-(2,3-dihydro-1H-indol-3-yl)-1H-imidazo[4,5-b]pyridine
CID 80565143
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine
CID 66394584
3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
CID 101408194

Frequently Asked Questions

What is the IUPAC name of 3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline (CID 106902586) is 3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC(c1nc3ncncc3[nH]1)CN2.
What is the InChIKey of 3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is YZNBOILLUZTWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-2-4-11-9(3-1)5-10(6-16-11)13-18-12-7-15-8-17-14(12)19-13/h1-4,7-8,10,16H,5-6H2,(H,15,17,18,19).
What are the key properties of 3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline?
3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 251.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-purin-8-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106902586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).