N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide

C23H28N4O4 — CID 122550213

IUPACN-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OCCCCCC(=O)NO
InChIInChI=1S/C23H28N4O4/c1-16-24-19-10-7-6-9-18(19)23(25-16)27(2)17-12-13-20(30-3)21(15-17)31-14-8-4-5-11-22(28)26-29/h6-7,9-10,12-13,15,29H,4-5,8,11,14H2,1-3H3,(H,26,28)
InChIKeyGOLDSRJBCFTJIA-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.16
Rot. Bonds10

About N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide

N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide (PubChem CID 122550213) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide
PubChem CID122550213
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OCCCCCC(=O)NO
InChIInChI=1S/C23H28N4O4/c1-16-24-19-10-7-6-9-18(19)23(25-16)27(2)17-12-13-20(30-3)21(15-17)31-14-8-4-5-11-22(28)26-29/h6-7,9-10,12-13,15,29H,4-5,8,11,14H2,1-3H3,(H,26,28)
InChIKeyGOLDSRJBCFTJIA-UHFFFAOYSA-N
XLogP4.16
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide?
The IUPAC name of N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide (CID 122550213) is N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide.
What is the SMILES notation for N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide?
The canonical SMILES for N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide is COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OCCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide?
The InChIKey is GOLDSRJBCFTJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16-24-19-10-7-6-9-18(19)23(25-16)27(2)17-12-13-20(30-3)21(15-17)31-14-8-4-5-11-22(28)26-29/h6-7,9-10,12-13,15,29H,4-5,8,11,14H2,1-3H3,(H,26,28).
What are the key properties of N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide?
N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide has a molecular weight of 424.50 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide is sourced from PubChem (CID 122550213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).