N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine

C27H26ClN7 — CID 53251195

IUPACN-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H26ClN7/c1-17(34-27-24-26(31-15-30-24)32-16-33-27)21-14-22(28)20-8-5-11-29-23(20)25(21)35-12-9-19(10-13-35)18-6-3-2-4-7-18/h2-8,11,14-17,19H,9-10,12-13H2,1H3,(H2,30,31,32,33,34)
InChIKeyGKOAOJKZHODBGJ-UHFFFAOYSA-N
MW484.01 g/mol
LogP6.11
Rot. Bonds5

About N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine

N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine (PubChem CID 53251195) has the molecular formula C27H26ClN7 and a molecular weight of 484.01 g/mol. Its IUPAC name is N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
PubChem CID53251195
Molecular FormulaC27H26ClN7
Molecular Weight484.01 g/mol
Exact Mass483.19
IUPAC NameN-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H26ClN7/c1-17(34-27-24-26(31-15-30-24)32-16-33-27)21-14-22(28)20-8-5-11-29-23(20)25(21)35-12-9-19(10-13-35)18-6-3-2-4-7-18/h2-8,11,14-17,19H,9-10,12-13H2,1H3,(H2,30,31,32,33,34)
InChIKeyGKOAOJKZHODBGJ-UHFFFAOYSA-N
XLogP6.11
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.01
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-chloro-8-(3-phenylpyrrolidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53251354
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-(4-fluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 87329239
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-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
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
[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-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
CID 53250687
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-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine (CID 53251195) is N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cccnc2c1N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The InChIKey is GKOAOJKZHODBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7/c1-17(34-27-24-26(31-15-30-24)32-16-33-27)21-14-22(28)20-8-5-11-29-23(20)25(21)35-12-9-19(10-13-35)18-6-3-2-4-7-18/h2-8,11,14-17,19H,9-10,12-13H2,1H3,(H2,30,31,32,33,34).
What are the key properties of N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine has a molecular weight of 484.01 g/mol, XLogP of 6.11, 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-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 53251195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).