N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine

C24H21FN6 — CID 87328911

IUPACN-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine
SMILESCCc1cc(CCNc2ncnc3nc[nH]c23)c(-c2cccc(F)c2)c2ncccc12
InChIInChI=1S/C24H21FN6/c1-2-15-11-17(8-10-27-23-22-24(29-13-28-22)31-14-30-23)20(16-5-3-6-18(25)12-16)21-19(15)7-4-9-26-21/h3-7,9,11-14H,2,8,10H2,1H3,(H2,27,28,29,30,31)
InChIKeyDNKNNVVWJFODEA-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.92
Rot. Bonds6

About N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine

N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine (PubChem CID 87328911) has the molecular formula C24H21FN6 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine
PubChem CID87328911
Molecular FormulaC24H21FN6
Molecular Weight412.47 g/mol
Exact Mass412.18
IUPAC NameN-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine
SMILESCCc1cc(CCNc2ncnc3nc[nH]c23)c(-c2cccc(F)c2)c2ncccc12
InChIInChI=1S/C24H21FN6/c1-2-15-11-17(8-10-27-23-22-24(29-13-28-22)31-14-30-23)20(16-5-3-6-18(25)12-16)21-19(15)7-4-9-26-21/h3-7,9,11-14H,2,8,10H2,1H3,(H2,27,28,29,30,31)
InChIKeyDNKNNVVWJFODEA-UHFFFAOYSA-N
XLogP4.92
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine (CID 87328911) is N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine is CCc1cc(CCNc2ncnc3nc[nH]c23)c(-c2cccc(F)c2)c2ncccc12.
What is the InChIKey of N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
The InChIKey is DNKNNVVWJFODEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6/c1-2-15-11-17(8-10-27-23-22-24(29-13-28-22)31-14-30-23)20(16-5-3-6-18(25)12-16)21-19(15)7-4-9-26-21/h3-7,9,11-14H,2,8,10H2,1H3,(H2,27,28,29,30,31).
What are the key properties of N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine?
N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine has a molecular weight of 412.47 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-ethyl-8-(3-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 87328911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).