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

C20H22N4O4 — CID 164626282

IUPACN-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC(C)C(=O)NO
InChIInChI=1S/C20H22N4O4/c1-12(20(25)23-26)28-18-11-14(9-10-17(18)27-4)24(3)19-15-7-5-6-8-16(15)21-13(2)22-19/h5-12,26H,1-4H3,(H,23,25)
InChIKeyRLOIBTKMGJXCEY-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.99
Rot. Bonds6

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

N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide (PubChem CID 164626282) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide
PubChem CID164626282
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC(C)C(=O)NO
InChIInChI=1S/C20H22N4O4/c1-12(20(25)23-26)28-18-11-14(9-10-17(18)27-4)24(3)19-15-7-5-6-8-16(15)21-13(2)22-19/h5-12,26H,1-4H3,(H,23,25)
InChIKeyRLOIBTKMGJXCEY-UHFFFAOYSA-N
XLogP2.99
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.99
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]propanamide?
The IUPAC name of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide (CID 164626282) is N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide.
What is the SMILES notation for N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide?
The canonical SMILES for N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide is COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC(C)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide?
The InChIKey is RLOIBTKMGJXCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12(20(25)23-26)28-18-11-14(9-10-17(18)27-4)24(3)19-15-7-5-6-8-16(15)21-13(2)22-19/h5-12,26H,1-4H3,(H,23,25).
What are the key properties of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide?
N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]propanamide has a molecular weight of 382.42 g/mol, XLogP of 2.99, 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]propanamide is sourced from PubChem (CID 164626282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).