N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide

C22H15FN6O2 — CID 15959232

IUPACN-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide
SMILESO=C(Nc1ncnc2c1ncn2Cc1ccc(F)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H15FN6O2/c23-15-6-3-13(4-7-15)10-29-12-27-18-20(25-11-26-21(18)29)28-22(31)16-8-5-14-2-1-9-24-17(14)19(16)30/h1-9,11-12,30H,10H2,(H,25,26,28,31)
InChIKeyGJWVTWYMZBPKIQ-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.52
Rot. Bonds4

About N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide

N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide (PubChem CID 15959232) has the molecular formula C22H15FN6O2 and a molecular weight of 414.40 g/mol. Its IUPAC name is N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide
PubChem CID15959232
Molecular FormulaC22H15FN6O2
Molecular Weight414.40 g/mol
Exact Mass414.12
IUPAC NameN-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide
SMILESO=C(Nc1ncnc2c1ncn2Cc1ccc(F)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H15FN6O2/c23-15-6-3-13(4-7-15)10-29-12-27-18-20(25-11-26-21(18)29)28-22(31)16-8-5-14-2-1-9-24-17(14)19(16)30/h1-9,11-12,30H,10H2,(H,25,26,28,31)
InChIKeyGJWVTWYMZBPKIQ-UHFFFAOYSA-N
XLogP3.52
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide?
The IUPAC name of N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide (CID 15959232) is N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide.
What is the SMILES notation for N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide?
The canonical SMILES for N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide is O=C(Nc1ncnc2c1ncn2Cc1ccc(F)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide?
The InChIKey is GJWVTWYMZBPKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O2/c23-15-6-3-13(4-7-15)10-29-12-27-18-20(25-11-26-21(18)29)28-22(31)16-8-5-14-2-1-9-24-17(14)19(16)30/h1-9,11-12,30H,10H2,(H,25,26,28,31).
What are the key properties of N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide?
N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide has a molecular weight of 414.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(4-fluorophenyl)methyl]purin-6-yl]-8-hydroxyquinoline-7-carboxamide is sourced from PubChem (CID 15959232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).