N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide

C21H24N4O4 — CID 164625636

IUPACN-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC(C)(C)C(=O)NO
InChIInChI=1S/C21H24N4O4/c1-13-22-16-9-7-6-8-15(16)19(23-13)25(4)14-10-11-17(28-5)18(12-14)29-21(2,3)20(26)24-27/h6-12,27H,1-5H3,(H,24,26)
InChIKeySXQWPKQOZAFBIJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.38
Rot. Bonds6

About N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide

N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide (PubChem CID 164625636) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide
PubChem CID164625636
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC(C)(C)C(=O)NO
InChIInChI=1S/C21H24N4O4/c1-13-22-16-9-7-6-8-15(16)19(23-13)25(4)14-10-11-17(28-5)18(12-14)29-21(2,3)20(26)24-27/h6-12,27H,1-5H3,(H,24,26)
InChIKeySXQWPKQOZAFBIJ-UHFFFAOYSA-N
XLogP3.38
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide?
The IUPAC name of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide (CID 164625636) is N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide.
What is the SMILES notation for N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide?
The canonical SMILES for N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide is COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC(C)(C)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide?
The InChIKey is SXQWPKQOZAFBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13-22-16-9-7-6-8-15(16)19(23-13)25(4)14-10-11-17(28-5)18(12-14)29-21(2,3)20(26)24-27/h6-12,27H,1-5H3,(H,24,26).
What are the key properties of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide?
N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide has a molecular weight of 396.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-2-methylpropanamide is sourced from PubChem (CID 164625636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).