(3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol

C20H20FN7O — CID 67247766

IUPAC(3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2c(CCNc3ncnc4nc[nH]c34)cc(F)c3cccnc23)C1
InChIInChI=1S/C20H20FN7O/c21-15-8-12(3-6-23-19-17-20(25-10-24-17)27-11-26-19)18(28-7-4-13(29)9-28)16-14(15)2-1-5-22-16/h1-2,5,8,10-11,13,29H,3-4,6-7,9H2,(H2,23,24,25,26,27)/t13-/m1/s1
InChIKeySJWGADNUMVHSRB-CYBMUJFWSA-N
MW393.43 g/mol
LogP2.27
Rot. Bonds5

About (3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol

(3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol (PubChem CID 67247766) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is (3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
PubChem CID67247766
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name(3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2c(CCNc3ncnc4nc[nH]c34)cc(F)c3cccnc23)C1
InChIInChI=1S/C20H20FN7O/c21-15-8-12(3-6-23-19-17-20(25-10-24-17)27-11-26-19)18(28-7-4-13(29)9-28)16-14(15)2-1-5-22-16/h1-2,5,8,10-11,13,29H,3-4,6-7,9H2,(H2,23,24,25,26,27)/t13-/m1/s1
InChIKeySJWGADNUMVHSRB-CYBMUJFWSA-N
XLogP2.27
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[5-fluoro-7-[2-(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
1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
CID 76736168
N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 87328911
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-fluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53250859
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-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53251354
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-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-7H-purin-6-amine
CID 133438868
N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53251195
N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69046602

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol (CID 67247766) is (3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol is O[C@@H]1CCN(c2c(CCNc3ncnc4nc[nH]c34)cc(F)c3cccnc23)C1.
What is the InChIKey of (3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol?
The InChIKey is SJWGADNUMVHSRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20FN7O/c21-15-8-12(3-6-23-19-17-20(25-10-24-17)27-11-26-19)18(28-7-4-13(29)9-28)16-14(15)2-1-5-22-16/h1-2,5,8,10-11,13,29H,3-4,6-7,9H2,(H2,23,24,25,26,27)/t13-/m1/s1.
What are the key properties of (3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol?
(3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol has a molecular weight of 393.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-fluoro-7-[2-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol is sourced from PubChem (CID 67247766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).