2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one

C14H10N6O3S — CID 135545644

IUPAC2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one
SMILESNc1nc2c(ncn2S(=O)(=O)c2cccc3cccnc23)c(=O)[nH]1
InChIInChI=1S/C14H10N6O3S/c15-14-18-12-11(13(21)19-14)17-7-20(12)24(22,23)9-5-1-3-8-4-2-6-16-10(8)9/h1-7H,(H3,15,18,19,21)
InChIKeyFXCJOWXNCTZBSQ-UHFFFAOYSA-N
MW342.34 g/mol
LogP0.49
Rot. Bonds2

About 2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one

2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one (PubChem CID 135545644) has the molecular formula C14H10N6O3S and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one
PubChem CID135545644
Molecular FormulaC14H10N6O3S
Molecular Weight342.34 g/mol
Exact Mass342.05
IUPAC Name2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one
SMILESNc1nc2c(ncn2S(=O)(=O)c2cccc3cccnc23)c(=O)[nH]1
InChIInChI=1S/C14H10N6O3S/c15-14-18-12-11(13(21)19-14)17-7-20(12)24(22,23)9-5-1-3-8-4-2-6-16-10(8)9/h1-7H,(H3,15,18,19,21)
InChIKeyFXCJOWXNCTZBSQ-UHFFFAOYSA-N
XLogP0.49
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-piperidin-1-ylsulfonylquinoline
CID 768759
2-amino-9-(2-pyridin-3-ylethyl)-1H-purin-6-one
CID 136934425
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
2-amino-9-(3-methylphenyl)-1H-purin-6-one
CID 135416977
5-propan-2-ylsulfanyl-2-quinolin-8-ylsulfonyl-1,2,4-triazol-3-amine
CID 100664521
8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772866
8-methylsulfanylsulfonylquinoline
CID 913226
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
5,7-dibutyl-2-quinolin-8-ylsulfonylpyrazolo[3,4-d]pyrimidine-4,6-dione
CID 11144901
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one?
The IUPAC name of 2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one (CID 135545644) is 2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one?
The canonical SMILES for 2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one is Nc1nc2c(ncn2S(=O)(=O)c2cccc3cccnc23)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one?
The InChIKey is FXCJOWXNCTZBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O3S/c15-14-18-12-11(13(21)19-14)17-7-20(12)24(22,23)9-5-1-3-8-4-2-6-16-10(8)9/h1-7H,(H3,15,18,19,21).
What are the key properties of 2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one?
2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one has a molecular weight of 342.34 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-quinolin-8-ylsulfonyl-1H-purin-6-one is sourced from PubChem (CID 135545644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).