7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide

C24H31N7O4 — CID 118374539

IUPAC7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
SMILESCC(=O)Nc1cccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)c1
InChIInChI=1S/C24H31N7O4/c1-17(32)26-19-8-6-7-18(15-19)22-27-23(30-11-13-35-14-12-30)21-24(28-22)31(16-25-21)10-5-3-2-4-9-20(33)29-34/h6-8,15-16,34H,2-5,9-14H2,1H3,(H,26,32)(H,29,33)
InChIKeyAREJUGAYBXWFOK-UHFFFAOYSA-N
MW481.56 g/mol
LogP2.74
Rot. Bonds10

About 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide

7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide (PubChem CID 118374539) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
PubChem CID118374539
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC Name7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
SMILESCC(=O)Nc1cccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)c1
InChIInChI=1S/C24H31N7O4/c1-17(32)26-19-8-6-7-18(15-19)22-27-23(30-11-13-35-14-12-30)21-24(28-22)31(16-25-21)10-5-3-2-4-9-20(33)29-34/h6-8,15-16,34H,2-5,9-14H2,1H3,(H,26,32)(H,29,33)
InChIKeyAREJUGAYBXWFOK-UHFFFAOYSA-N
XLogP2.74
TPSA134.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
CID 118366956
3-[9-[7-(Hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide
CID 118374540
4-[9-[7-(Hydroxyamino)-7-oxoheptyl]-6-morpholin-4-ylpurin-2-yl]benzamide
CID 118374541
Purinostat
CID 122648367
2-[[2-[4-(dimethylamino)phenyl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 122648555
2-N-(4-aminobutyl)-9-cyclopentyl-6-N-[4-(morpholin-4-ylmethyl)phenyl]purine-2,6-diamine
CID 145965543
{4-[2-(3-Morpholin-4-yl-propylamino)-9-phenyl-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
CID 24762175
4-{6-[(2-methoxyethyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}-N-methylbenzamide
CID 23645299
N-(2-cyanoethyl)-4-{6-[(2-methoxyethyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}benzamide
CID 23645300
methyl N-(4-{6-[(2-methoxyethyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}phenyl)carbamate
CID 23645301
7,9-Dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
CID 10092142
methyl N-[3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]carbamate
CID 10550858

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide?
The IUPAC name of 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide (CID 118374539) is 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide is CC(=O)Nc1cccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)c1.
What is the InChIKey of 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide?
The InChIKey is AREJUGAYBXWFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-17(32)26-19-8-6-7-18(15-19)22-27-23(30-11-13-35-14-12-30)21-24(28-22)31(16-25-21)10-5-3-2-4-9-20(33)29-34/h6-8,15-16,34H,2-5,9-14H2,1H3,(H,26,32)(H,29,33).
What are the key properties of 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide?
7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide has a molecular weight of 481.56 g/mol, XLogP of 2.74, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 118374539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).