7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline

C24H19FN6 — CID 122449218

IUPAC7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline
SMILESFc1ccc2cc(C3CCCN3c3ncnc4nc[nH]c34)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H19FN6/c25-17-9-8-16-11-18(21(30-19(16)12-17)15-5-2-1-3-6-15)20-7-4-10-31(20)24-22-23(27-13-26-22)28-14-29-24/h1-3,5-6,8-9,11-14,20H,4,7,10H2,(H,26,27,28,29)
InChIKeyKABFOXNGHWUHBT-UHFFFAOYSA-N
MW410.46 g/mol
LogP5.05
Rot. Bonds3

About 7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline

7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline (PubChem CID 122449218) has the molecular formula C24H19FN6 and a molecular weight of 410.46 g/mol. Its IUPAC name is 7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline
PubChem CID122449218
Molecular FormulaC24H19FN6
Molecular Weight410.46 g/mol
Exact Mass410.17
IUPAC Name7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline
SMILESFc1ccc2cc(C3CCCN3c3ncnc4nc[nH]c34)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H19FN6/c25-17-9-8-16-11-18(21(30-19(16)12-17)15-5-2-1-3-6-15)20-7-4-10-31(20)24-22-23(27-13-26-22)28-14-29-24/h1-3,5-6,8-9,11-14,20H,4,7,10H2,(H,26,27,28,29)
InChIKeyKABFOXNGHWUHBT-UHFFFAOYSA-N
XLogP5.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline?
The IUPAC name of 7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline (CID 122449218) is 7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline.
What is the SMILES notation for 7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline?
The canonical SMILES for 7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline is Fc1ccc2cc(C3CCCN3c3ncnc4nc[nH]c34)c(-c3ccccc3)nc2c1.
What is the InChIKey of 7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline?
The InChIKey is KABFOXNGHWUHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6/c25-17-9-8-16-11-18(21(30-19(16)12-17)15-5-2-1-3-6-15)20-7-4-10-31(20)24-22-23(27-13-26-22)28-14-29-24/h1-3,5-6,8-9,11-14,20H,4,7,10H2,(H,26,27,28,29).
What are the key properties of 7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline?
7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline has a molecular weight of 410.46 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-phenyl-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline is sourced from PubChem (CID 122449218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).