5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide

C24H30N4O2 — CID 134186574

IUPAC5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide
SMILESCCc1ccc(N(CC)c2nc(C)nc3ccccc23)cc1CCCCC(=O)NO
InChIInChI=1S/C24H30N4O2/c1-4-18-14-15-20(16-19(18)10-6-9-13-23(29)27-30)28(5-2)24-21-11-7-8-12-22(21)25-17(3)26-24/h7-8,11-12,14-16,30H,4-6,9-10,13H2,1-3H3,(H,27,29)
InChIKeyCGFNMZQLBBZFQW-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.88
Rot. Bonds9

About 5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide

5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide (PubChem CID 134186574) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide
PubChem CID134186574
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide
SMILESCCc1ccc(N(CC)c2nc(C)nc3ccccc23)cc1CCCCC(=O)NO
InChIInChI=1S/C24H30N4O2/c1-4-18-14-15-20(16-19(18)10-6-9-13-23(29)27-30)28(5-2)24-21-11-7-8-12-22(21)25-17(3)26-24/h7-8,11-12,14-16,30H,4-6,9-10,13H2,1-3H3,(H,27,29)
InChIKeyCGFNMZQLBBZFQW-UHFFFAOYSA-N
XLogP4.88
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.88
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

ethyl 5-[2-ethyl-5-[methoxymethoxymethyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanoate
CID 134186608
N-[4-ethyl-3-[5-(methylamino)hex-5-enyl]phenyl]-2-methyl-N-pentylquinazolin-4-amine
CID 134186481
N-[3-(5-ethoxyhex-5-enyl)-4-ethylphenyl]-2-methyl-N-propylquinazolin-4-amine
CID 134186594
N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide
CID 134186540
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
N-(4-methylcyclohexyl)-4-phenylbutanamide;N,N,2-trimethylquinazolin-4-amine
CID 142229062
N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
CID 140857190
N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine
CID 142230983
N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
CID 11638343
N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide
CID 121426047
methyl 4-pentylquinoline-2-carboxylate
CID 174963802

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide?
The IUPAC name of 5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide (CID 134186574) is 5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide.
What is the SMILES notation for 5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide?
The canonical SMILES for 5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide is CCc1ccc(N(CC)c2nc(C)nc3ccccc23)cc1CCCCC(=O)NO.
What is the InChIKey of 5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide?
The InChIKey is CGFNMZQLBBZFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-18-14-15-20(16-19(18)10-6-9-13-23(29)27-30)28(5-2)24-21-11-7-8-12-22(21)25-17(3)26-24/h7-8,11-12,14-16,30H,4-6,9-10,13H2,1-3H3,(H,27,29).
What are the key properties of 5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide?
5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide has a molecular weight of 406.53 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide is sourced from PubChem (CID 134186574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).