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

C21H24N4O4 — CID 140857190

IUPACN-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
SMILESCCC(Oc1cc(N(C)c2nc(C)nc3ccccc23)ccc1OC)C(=O)NO
InChIInChI=1S/C21H24N4O4/c1-5-17(21(26)24-27)29-19-12-14(10-11-18(19)28-4)25(3)20-15-8-6-7-9-16(15)22-13(2)23-20/h6-12,17,27H,5H2,1-4H3,(H,24,26)
InChIKeyYCVGKZVNGYWHAT-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.38
Rot. Bonds7

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

N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide (PubChem CID 140857190) 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]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
PubChem CID140857190
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
SMILESCCC(Oc1cc(N(C)c2nc(C)nc3ccccc23)ccc1OC)C(=O)NO
InChIInChI=1S/C21H24N4O4/c1-5-17(21(26)24-27)29-19-12-14(10-11-18(19)28-4)25(3)20-15-8-6-7-9-16(15)22-13(2)23-20/h6-12,17,27H,5H2,1-4H3,(H,24,26)
InChIKeyYCVGKZVNGYWHAT-UHFFFAOYSA-N
XLogP3.38
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
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'}

Analyze N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
CID 164613666
2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide
CID 164621719
methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate
CID 122550270
ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate
CID 153310887
N-[3-[(4-but-1-en-2-ylphenyl)methoxy]-4-methoxyphenyl]-N,2-dimethylquinazolin-4-amine
CID 134186549
5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-N-nitrosopyrimidine-2-carboxamide
CID 122550144
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234
methyl N-[2-[[4-(3,4-dimethoxy-N-methylanilino)quinazolin-2-yl]amino]ethyl]carbamate
CID 59237301
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-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide
CID 122550155
methyl N-[[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]carbamoylamino]carbamate
CID 59242074

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide?
The IUPAC name of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide (CID 140857190) is N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide.
What is the SMILES notation for N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide?
The canonical SMILES for N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide is CCC(Oc1cc(N(C)c2nc(C)nc3ccccc23)ccc1OC)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide?
The InChIKey is YCVGKZVNGYWHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-5-17(21(26)24-27)29-19-12-14(10-11-18(19)28-4)25(3)20-15-8-6-7-9-16(15)22-13(2)23-20/h6-12,17,27H,5H2,1-4H3,(H,24,26).
What are the key properties of N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide?
N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide has a molecular weight of 396.45 g/mol, XLogP of 3.38, 7 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]butanamide is sourced from PubChem (CID 140857190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).