4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide

C26H32N4O5S — CID 162663468

IUPAC4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide
SMILESCOc1cc(OC)c2c(N3CCSCC3)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1
InChIInChI=1S/C26H32N4O5S/c1-16-12-18(13-17(2)24(16)35-9-5-6-22(31)29-32)25-27-20-14-19(33-3)15-21(34-4)23(20)26(28-25)30-7-10-36-11-8-30/h12-15,32H,5-11H2,1-4H3,(H,29,31)
InChIKeyMIOZVZXMDSXPLF-UHFFFAOYSA-N
MW512.63 g/mol
LogP4.15
Rot. Bonds9

About 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide

4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide (PubChem CID 162663468) has the molecular formula C26H32N4O5S and a molecular weight of 512.63 g/mol. Its IUPAC name is 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide
PubChem CID162663468
Molecular FormulaC26H32N4O5S
Molecular Weight512.63 g/mol
Exact Mass512.21
IUPAC Name4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide
SMILESCOc1cc(OC)c2c(N3CCSCC3)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1
InChIInChI=1S/C26H32N4O5S/c1-16-12-18(13-17(2)24(16)35-9-5-6-22(31)29-32)25-27-20-14-19(33-3)15-21(34-4)23(20)26(28-25)30-7-10-36-11-8-30/h12-15,32H,5-11H2,1-4H3,(H,29,31)
InChIKeyMIOZVZXMDSXPLF-UHFFFAOYSA-N
XLogP4.15
TPSA106.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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'}

Analyze 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide?
The IUPAC name of 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide (CID 162663468) is 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide.
What is the SMILES notation for 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide?
The canonical SMILES for 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide is COc1cc(OC)c2c(N3CCSCC3)nc(-c3cc(C)c(OCCCC(=O)NO)c(C)c3)nc2c1.
What is the InChIKey of 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide?
The InChIKey is MIOZVZXMDSXPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5S/c1-16-12-18(13-17(2)24(16)35-9-5-6-22(31)29-32)25-27-20-14-19(33-3)15-21(34-4)23(20)26(28-25)30-7-10-36-11-8-30/h12-15,32H,5-11H2,1-4H3,(H,29,31).
What are the key properties of 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide?
4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide has a molecular weight of 512.63 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5,7-dimethoxy-4-thiomorpholin-4-ylquinazolin-2-yl)-2,6-dimethylphenoxy]-N-hydroxybutanamide is sourced from PubChem (CID 162663468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).