N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide

C18H18N4O3 — CID 122550234

IUPACN-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
SMILESCc1nc(N(C)c2ccc(OCC(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
InChIKeyMPMPKDWQOVDGGV-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.59
Rot. Bonds5

About N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide

N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide (PubChem CID 122550234) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
PubChem CID122550234
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
SMILESCc1nc(N(C)c2ccc(OCC(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
InChIKeyMPMPKDWQOVDGGV-UHFFFAOYSA-N
XLogP2.59
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide
CID 122550155
N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
CID 11638343
N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide
CID 134186540
N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
CID 25226359
methyl N-[[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]carbamoylamino]carbamate
CID 59242074
N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine
CID 11150552
methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate
CID 71063625
N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
CID 140857190
4-[[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]methyl]benzoic acid
CID 175115810
N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine
CID 134186511
N,3,3-trimethyl-N-(2-methylquinazolin-4-yl)butanamide
CID 121426047
2-(chloromethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
CID 68517238

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide?
The IUPAC name of N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide (CID 122550234) is N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide is Cc1nc(N(C)c2ccc(OCC(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide?
The InChIKey is MPMPKDWQOVDGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23).
What are the key properties of N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide?
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide is sourced from PubChem (CID 122550234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).