N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine

C29H28N10O3 — CID 142506201

IUPACN-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine
SMILESCCCc1nc2cccc(NCc3ccc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C24H23N5O3.C5H5N5/c1-2-7-21-27-20-11-6-10-19(22(20)24(31)29(21)18-8-4-3-5-9-18)26-15-17-13-12-16(14-25-17)23(30)28-32;6-4-3-5(9-1-7-3)10-2-8-4/h3-6,8-14,26,32H,2,7,15H2,1H3,(H,28,30);1-2H,(H3,6,7,8,9,10)
InChIKeyZADUOVSQELPBPS-UHFFFAOYSA-N
MW564.61 g/mol
LogP3.40
Rot. Bonds7

About N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine

N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine (PubChem CID 142506201) has the molecular formula C29H28N10O3 and a molecular weight of 564.61 g/mol. Its IUPAC name is N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine.

Molecular Properties

Compound NameN-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine
PubChem CID142506201
Molecular FormulaC29H28N10O3
Molecular Weight564.61 g/mol
Exact Mass564.23
IUPAC NameN-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine
SMILESCCCc1nc2cccc(NCc3ccc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C24H23N5O3.C5H5N5/c1-2-7-21-27-20-11-6-10-19(22(20)24(31)29(21)18-8-4-3-5-9-18)26-15-17-13-12-16(14-25-17)23(30)28-32;6-4-3-5(9-1-7-3)10-2-8-4/h3-6,8-14,26,32H,2,7,15H2,1H3,(H,28,30);1-2H,(H3,6,7,8,9,10)
InChIKeyZADUOVSQELPBPS-UHFFFAOYSA-N
XLogP3.40
TPSA189.62 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.61
LogP ≤ 53.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-3-phenyl-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835033
N-hydroxy-4-[[[4-oxo-3-phenyl-2-[3-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]methyl]benzamide
CID 137368152
3-(2,3-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835287
3-(3-chlorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835156
5-chloro-2-ethyl-6-fluoro-3-phenylquinazolin-4-one;7H-purin-6-amine
CID 144835105
3-(3,5-difluorophenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835371
ethane;8-fluoro-2-phenyl-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835192
4-[[[2-[(1S)-1-[(6-amino-5-cyano-2-methylpyrimidin-4-yl)amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]-N-hydroxybenzamide;5-[[[5-(2-hydroxyacetyl)pyrimidin-2-yl]amino]methyl]-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one;N-hydroxy-2-[[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylamino]methyl]-1,3-thiazole-4-carboxamide
CID 158630677
5-chloro-3-(3-chloro-5-methylphenyl)-6-fluoro-2-propylquinazolin-4-one;7H-purin-6-amine
CID 144835206
3-(2,6-difluorophenyl)-2-ethyl-5-fluoroquinazolin-4-one;7H-purin-6-amine
CID 144835464
3-ethyl-8-fluoro-2-phenylisoquinolin-1-one;7H-purin-6-amine
CID 144835055
6-[[[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-oxo-3-phenylquinazolin-5-yl]amino]methyl]pyridine-3-carboxylic acid
CID 137368201

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine?
The IUPAC name of N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine (CID 142506201) is N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine.
What is the SMILES notation for N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine?
The canonical SMILES for N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine is CCCc1nc2cccc(NCc3ccc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine?
The InChIKey is ZADUOVSQELPBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3.C5H5N5/c1-2-7-21-27-20-11-6-10-19(22(20)24(31)29(21)18-8-4-3-5-9-18)26-15-17-13-12-16(14-25-17)23(30)28-32;6-4-3-5(9-1-7-3)10-2-8-4/h3-6,8-14,26,32H,2,7,15H2,1H3,(H,28,30);1-2H,(H3,6,7,8,9,10).
What are the key properties of N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine?
N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine has a molecular weight of 564.61 g/mol, XLogP of 3.40, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[(4-oxo-3-phenyl-2-propylquinazolin-5-yl)amino]methyl]pyridine-3-carboxamide;7H-purin-6-amine is sourced from PubChem (CID 142506201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).