5-[(2-chloro-7H-purin-6-yl)oxy]quinoline

C14H8ClN5O — CID 103044721

IUPAC5-[(2-chloro-7H-purin-6-yl)oxy]quinoline
SMILESClc1nc(Oc2cccc3ncccc23)c2[nH]cnc2n1
InChIInChI=1S/C14H8ClN5O/c15-14-19-12-11(17-7-18-12)13(20-14)21-10-5-1-4-9-8(10)3-2-6-16-9/h1-7H,(H,17,18,19,20)
InChIKeyRZWBBOMFWYQHOP-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.35
Rot. Bonds2

About 5-[(2-chloro-7H-purin-6-yl)oxy]quinoline

5-[(2-chloro-7H-purin-6-yl)oxy]quinoline (PubChem CID 103044721) has the molecular formula C14H8ClN5O and a molecular weight of 297.71 g/mol. Its IUPAC name is 5-[(2-chloro-7H-purin-6-yl)oxy]quinoline.

Molecular Properties

Compound Name5-[(2-chloro-7H-purin-6-yl)oxy]quinoline
PubChem CID103044721
Molecular FormulaC14H8ClN5O
Molecular Weight297.71 g/mol
Exact Mass297.04
IUPAC Name5-[(2-chloro-7H-purin-6-yl)oxy]quinoline
SMILESClc1nc(Oc2cccc3ncccc23)c2[nH]cnc2n1
InChIInChI=1S/C14H8ClN5O/c15-14-19-12-11(17-7-18-12)13(20-14)21-10-5-1-4-9-8(10)3-2-6-16-9/h1-7H,(H,17,18,19,20)
InChIKeyRZWBBOMFWYQHOP-UHFFFAOYSA-N
XLogP3.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine
CID 116688984
2-chloro-6-(2-ethoxyphenoxy)-7H-purine
CID 104786931
2-chloro-6-(2-ethylphenoxy)-7H-purine
CID 113453019
2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
2-chloro-6-(3-chlorophenoxy)-7H-purine
CID 104786941
6-quinolin-8-yloxy-7H-purin-2-amine
CID 114787361
2-chloro-6-(5-chloro-2-nitrophenoxy)-7H-purine
CID 104787001
2-chloro-6-(2,3,5-trimethylphenoxy)-7H-purine
CID 104786959
2-chloro-6-(3,4-dimethylphenoxy)-7H-purine
CID 113453013
2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine
CID 104786973
5-[(2,6-dichloro-4-pyridinyl)oxy]quinoline
CID 151981623
2-chloro-6-[3-(trifluoromethyl)phenoxy]-7H-purine
CID 104786953

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-7H-purin-6-yl)oxy]quinoline?
The IUPAC name of 5-[(2-chloro-7H-purin-6-yl)oxy]quinoline (CID 103044721) is 5-[(2-chloro-7H-purin-6-yl)oxy]quinoline.
What is the SMILES notation for 5-[(2-chloro-7H-purin-6-yl)oxy]quinoline?
The canonical SMILES for 5-[(2-chloro-7H-purin-6-yl)oxy]quinoline is Clc1nc(Oc2cccc3ncccc23)c2[nH]cnc2n1.
What is the InChIKey of 5-[(2-chloro-7H-purin-6-yl)oxy]quinoline?
The InChIKey is RZWBBOMFWYQHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5O/c15-14-19-12-11(17-7-18-12)13(20-14)21-10-5-1-4-9-8(10)3-2-6-16-9/h1-7H,(H,17,18,19,20).
What are the key properties of 5-[(2-chloro-7H-purin-6-yl)oxy]quinoline?
5-[(2-chloro-7H-purin-6-yl)oxy]quinoline has a molecular weight of 297.71 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-7H-purin-6-yl)oxy]quinoline is sourced from PubChem (CID 103044721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).