1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one

C20H20N8O — CID 117086924

IUPAC1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
SMILESNc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2CCN1CCCC1=O
InChIInChI=1S/C20H20N8O/c21-18-17-19(28(12-23-17)10-9-27-8-2-4-16(27)29)26-20(25-18)24-14-5-6-15-13(11-14)3-1-7-22-15/h1,3,5-7,11-12H,2,4,8-10H2,(H3,21,24,25,26)
InChIKeyLQHOAHXVXLHVCY-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.32
Rot. Bonds5

About 1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one

1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one (PubChem CID 117086924) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
PubChem CID117086924
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
SMILESNc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2CCN1CCCC1=O
InChIInChI=1S/C20H20N8O/c21-18-17-19(28(12-23-17)10-9-27-8-2-4-16(27)29)26-20(25-18)24-14-5-6-15-13(11-14)3-1-7-22-15/h1,3,5-7,11-12H,2,4,8-10H2,(H3,21,24,25,26)
InChIKeyLQHOAHXVXLHVCY-UHFFFAOYSA-N
XLogP2.32
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(6-amino-2-anilinopurin-9-yl)ethyl]pyrrolidin-2-one
CID 117093175
1-[3-[[9-cyclohexyl-2-(quinolin-6-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117082308
9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117093201
1-[2-[6-(4-morpholin-4-ylanilino)-2-(pyrimidin-2-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117079279
1-[2-[6-(benzylamino)-2-[3-(dimethylamino)anilino]purin-9-yl]ethyl]pyrrolidin-2-one
CID 117079929
1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one
CID 94696788
1-[3-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117084800
N-(4,6-dihydrazinylpyrimidin-2-yl)quinolin-6-amine
CID 139976319
1-[3-[[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyrimidin-4-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117084307
1-[2-[2-[(2-methylpyrazol-3-yl)amino]-6-(2-phenoxyethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117092064
N-[4-[[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyrimidin-4-ylamino)purin-6-yl]amino]phenyl]acetamide
CID 117079969
1-[2-[6-(4-morpholin-4-ylanilino)-2-(2-morpholin-4-ylethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117083487

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one (CID 117086924) is 1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one is Nc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2CCN1CCCC1=O.
What is the InChIKey of 1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The InChIKey is LQHOAHXVXLHVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c21-18-17-19(28(12-23-17)10-9-27-8-2-4-16(27)29)26-20(25-18)24-14-5-6-15-13(11-14)3-1-7-22-15/h1,3,5-7,11-12H,2,4,8-10H2,(H3,21,24,25,26).
What are the key properties of 1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one has a molecular weight of 388.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 117086924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).