1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol

C20H20ClN7O — CID 76736168

IUPAC1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(O)C1
InChIInChI=1S/C20H20ClN7O/c1-11(27-20-17-19(24-9-23-17)25-10-26-20)14-7-15(21)13-3-2-5-22-16(13)18(14)28-6-4-12(29)8-28/h2-3,5,7,9-12,29H,4,6,8H2,1H3,(H2,23,24,25,26,27)
InChIKeyAUFOAAVMUQEDED-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.30
Rot. Bonds4

About 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol

1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol (PubChem CID 76736168) has the molecular formula C20H20ClN7O and a molecular weight of 409.88 g/mol. Its IUPAC name is 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
PubChem CID76736168
Molecular FormulaC20H20ClN7O
Molecular Weight409.88 g/mol
Exact Mass409.14
IUPAC Name1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(O)C1
InChIInChI=1S/C20H20ClN7O/c1-11(27-20-17-19(24-9-23-17)25-10-26-20)14-7-15(21)13-3-2-5-22-16(13)18(14)28-6-4-12(29)8-28/h2-3,5,7,9-12,29H,4,6,8H2,1H3,(H2,23,24,25,26,27)
InChIKeyAUFOAAVMUQEDED-UHFFFAOYSA-N
XLogP3.30
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R)-1-[5-fluoro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
CID 53250687
N-[1-[5-chloro-8-(3-methoxypyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53251192
N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53251354
N-[1-[5-chloro-8-(3-fluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53250859
N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53251195
4-[1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-yl]butan-2-one
CID 123578382
N-[1-[5-chloro-8-(4-fluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 87329239
1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87324291
N-[1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]piperidin-4-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 87346827
N-[1-[5-chloro-8-(4-phenoxypiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 87346706
[4-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 53251816
(3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
CID 67247766

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol (CID 76736168) is 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol is CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(O)C1.
What is the InChIKey of 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol?
The InChIKey is AUFOAAVMUQEDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O/c1-11(27-20-17-19(24-9-23-17)25-10-26-20)14-7-15(21)13-3-2-5-22-16(13)18(14)28-6-4-12(29)8-28/h2-3,5,7,9-12,29H,4,6,8H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol?
1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol has a molecular weight of 409.88 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol is sourced from PubChem (CID 76736168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).