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

C24H20FN7O2 — CID 15959230

IUPACN-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide
SMILESCN(C)c1ncnc2c1nc(NC(=O)c1ccc3cccnc3c1O)n2Cc1ccc(F)cc1
InChIInChI=1S/C24H20FN7O2/c1-31(2)21-19-22(28-13-27-21)32(12-14-5-8-16(25)9-6-14)24(29-19)30-23(34)17-10-7-15-4-3-11-26-18(15)20(17)33/h3-11,13,33H,12H2,1-2H3,(H,29,30,34)
InChIKeyRPKGHMNQGRYIDQ-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.59
Rot. Bonds5

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

N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide (PubChem CID 15959230) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide
PubChem CID15959230
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC NameN-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide
SMILESCN(C)c1ncnc2c1nc(NC(=O)c1ccc3cccnc3c1O)n2Cc1ccc(F)cc1
InChIInChI=1S/C24H20FN7O2/c1-31(2)21-19-22(28-13-27-21)32(12-14-5-8-16(25)9-6-14)24(29-19)30-23(34)17-10-7-15-4-3-11-26-18(15)20(17)33/h3-11,13,33H,12H2,1-2H3,(H,29,30,34)
InChIKeyRPKGHMNQGRYIDQ-UHFFFAOYSA-N
XLogP3.59
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide (CID 15959230) is N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide is CN(C)c1ncnc2c1nc(NC(=O)c1ccc3cccnc3c1O)n2Cc1ccc(F)cc1.
What is the InChIKey of N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide?
The InChIKey is RPKGHMNQGRYIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2/c1-31(2)21-19-22(28-13-27-21)32(12-14-5-8-16(25)9-6-14)24(29-19)30-23(34)17-10-7-15-4-3-11-26-18(15)20(17)33/h3-11,13,33H,12H2,1-2H3,(H,29,30,34).
What are the key properties of N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide?
N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-9-[(4-fluorophenyl)methyl]purin-8-yl]-8-hydroxyquinoline-7-carboxamide is sourced from PubChem (CID 15959230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).