N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine

C21H16FN7 — CID 67511498

IUPACN-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1ccccn1
InChIInChI=1S/C21H16FN7/c1-12(29-21-19-20(26-10-25-19)27-11-28-21)15-9-24-16-6-5-13(22)8-14(16)18(15)17-4-2-3-7-23-17/h2-12H,1H3,(H2,25,26,27,28,29)
InChIKeyBDOXCEFKKWXKFH-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine

N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 67511498) has the molecular formula C21H16FN7 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
PubChem CID67511498
Molecular FormulaC21H16FN7
Molecular Weight385.41 g/mol
Exact Mass385.15
IUPAC NameN-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1ccccn1
InChIInChI=1S/C21H16FN7/c1-12(29-21-19-20(26-10-25-19)27-11-28-21)15-9-24-16-6-5-13(22)8-14(16)18(15)17-4-2-3-7-23-17/h2-12H,1H3,(H2,25,26,27,28,29)
InChIKeyBDOXCEFKKWXKFH-UHFFFAOYSA-N
XLogP4.28
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine (CID 67511498) is N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1ccccn1.
What is the InChIKey of N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is BDOXCEFKKWXKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7/c1-12(29-21-19-20(26-10-25-19)27-11-28-21)15-9-24-16-6-5-13(22)8-14(16)18(15)17-4-2-3-7-23-17/h2-12H,1H3,(H2,25,26,27,28,29).
What are the key properties of N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 385.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 67511498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).