N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide

C22H24N4O4 — CID 164623466

IUPACN-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC1(C(=O)NO)CCC1
InChIInChI=1S/C22H24N4O4/c1-14-23-17-8-5-4-7-16(17)20(24-14)26(2)15-9-10-18(29-3)19(13-15)30-22(11-6-12-22)21(27)25-28/h4-5,7-10,13,28H,6,11-12H2,1-3H3,(H,25,27)
InChIKeyVTVPGSQVYKHGKZ-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.52
Rot. Bonds6

About N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide

N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide (PubChem CID 164623466) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide
PubChem CID164623466
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC1(C(=O)NO)CCC1
InChIInChI=1S/C22H24N4O4/c1-14-23-17-8-5-4-7-16(17)20(24-14)26(2)15-9-10-18(29-3)19(13-15)30-22(11-6-12-22)21(27)25-28/h4-5,7-10,13,28H,6,11-12H2,1-3H3,(H,25,27)
InChIKeyVTVPGSQVYKHGKZ-UHFFFAOYSA-N
XLogP3.52
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.52
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-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide?
The IUPAC name of N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide (CID 164623466) is N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide.
What is the SMILES notation for N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide?
The canonical SMILES for N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide is COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC1(C(=O)NO)CCC1.
What is the InChIKey of N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide?
The InChIKey is VTVPGSQVYKHGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-23-17-8-5-4-7-16(17)20(24-14)26(2)15-9-10-18(29-3)19(13-15)30-22(11-6-12-22)21(27)25-28/h4-5,7-10,13,28H,6,11-12H2,1-3H3,(H,25,27).
What are the key properties of N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide?
N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]cyclobutane-1-carboxamide is sourced from PubChem (CID 164623466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).