N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide

C21H24N4O2 — CID 134186540

IUPACN-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide
SMILESCc1nc(N(C)c2cccc(CCCCC(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C21H24N4O2/c1-15-22-19-12-5-4-11-18(19)21(23-15)25(2)17-10-7-9-16(14-17)8-3-6-13-20(26)24-27/h4-5,7,9-12,14,27H,3,6,8,13H2,1-2H3,(H,24,26)
InChIKeyQVMNJCRZIBUIIL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.92
Rot. Bonds7

About N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide

N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide (PubChem CID 134186540) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide
PubChem CID134186540
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide
SMILESCc1nc(N(C)c2cccc(CCCCC(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C21H24N4O2/c1-15-22-19-12-5-4-11-18(19)21(23-15)25(2)17-10-7-9-16(14-17)8-3-6-13-20(26)24-27/h4-5,7,9-12,14,27H,3,6,8,13H2,1-2H3,(H,24,26)
InChIKeyQVMNJCRZIBUIIL-UHFFFAOYSA-N
XLogP3.92
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide
CID 134186574
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234
N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
CID 25226359
4-[[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]methyl]benzoic acid
CID 175115810
ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate
CID 153310887
N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide
CID 175916850
N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine
CID 142229062
N-(3-hexoxyphenyl)-N,2-dimethylquinazolin-4-amine
CID 134186542
N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
CID 11638343
N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
CID 140857190
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide
CID 134186537

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide?
The IUPAC name of N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide (CID 134186540) is N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide?
The canonical SMILES for N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide is Cc1nc(N(C)c2cccc(CCCCC(=O)NO)c2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide?
The InChIKey is QVMNJCRZIBUIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-22-19-12-5-4-11-18(19)21(23-15)25(2)17-10-7-9-16(14-17)8-3-6-13-20(26)24-27/h4-5,7,9-12,14,27H,3,6,8,13H2,1-2H3,(H,24,26).
What are the key properties of N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide?
N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide has a molecular weight of 364.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide is sourced from PubChem (CID 134186540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).