N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine

C26H24ClN7 — CID 53251354

IUPACN-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(c2ccccc2)C1
InChIInChI=1S/C26H24ClN7/c1-16(33-26-23-25(30-14-29-23)31-15-32-26)20-12-21(27)19-8-5-10-28-22(19)24(20)34-11-9-18(13-34)17-6-3-2-4-7-17/h2-8,10,12,14-16,18H,9,11,13H2,1H3,(H2,29,30,31,32,33)
InChIKeyVIYRJISZQMHZGF-UHFFFAOYSA-N
MW469.98 g/mol
LogP5.72
Rot. Bonds5

About N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine

N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine (PubChem CID 53251354) has the molecular formula C26H24ClN7 and a molecular weight of 469.98 g/mol. Its IUPAC name is N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
PubChem CID53251354
Molecular FormulaC26H24ClN7
Molecular Weight469.98 g/mol
Exact Mass469.18
IUPAC NameN-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(c2ccccc2)C1
InChIInChI=1S/C26H24ClN7/c1-16(33-26-23-25(30-14-29-23)31-15-32-26)20-12-21(27)19-8-5-10-28-22(19)24(20)34-11-9-18(13-34)17-6-3-2-4-7-17/h2-8,10,12,14-16,18H,9,11,13H2,1H3,(H2,29,30,31,32,33)
InChIKeyVIYRJISZQMHZGF-UHFFFAOYSA-N
XLogP5.72
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.98
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53251195
1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
CID 76736168
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
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
4-[1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-yl]butan-2-one
CID 123578382
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-8-(4-phenoxypiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 87346706
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
(3R)-1-[5-fluoro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
CID 53250687
[4-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 53251816
5-chloro-8-(3-fluoropiperidin-1-yl)-7-[1-(7H-purin-6-yl)propan-2-yl]quinoline
CID 58368501

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine (CID 53251354) is N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(c2ccccc2)C1.
What is the InChIKey of N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The InChIKey is VIYRJISZQMHZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7/c1-16(33-26-23-25(30-14-29-23)31-15-32-26)20-12-21(27)19-8-5-10-28-22(19)24(20)34-11-9-18(13-34)17-6-3-2-4-7-17/h2-8,10,12,14-16,18H,9,11,13H2,1H3,(H2,29,30,31,32,33).
What are the key properties of N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine has a molecular weight of 469.98 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 53251354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).