4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide

C21H22N4O5 — CID 164626283

IUPAC4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide
SMILESCOc1cc(OC)c2c(N3CCOCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1
InChIInChI=1S/C21H22N4O5/c1-28-15-11-16-18(17(12-15)29-2)20(25-7-9-30-10-8-25)23-19(22-16)13-3-5-14(6-4-13)21(26)24-27/h3-6,11-12,27H,7-10H2,1-2H3,(H,24,26)
InChIKeyDCSQFOSWPCQGPH-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.27
Rot. Bonds5

About 4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide

4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide (PubChem CID 164626283) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide
PubChem CID164626283
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide
SMILESCOc1cc(OC)c2c(N3CCOCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1
InChIInChI=1S/C21H22N4O5/c1-28-15-11-16-18(17(12-15)29-2)20(25-7-9-30-10-8-25)23-19(22-16)13-3-5-14(6-4-13)21(26)24-27/h3-6,11-12,27H,7-10H2,1-2H3,(H,24,26)
InChIKeyDCSQFOSWPCQGPH-UHFFFAOYSA-N
XLogP2.27
TPSA106.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide?
The IUPAC name of 4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide (CID 164626283) is 4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide.
What is the SMILES notation for 4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide?
The canonical SMILES for 4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide is COc1cc(OC)c2c(N3CCOCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1.
What is the InChIKey of 4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide?
The InChIKey is DCSQFOSWPCQGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-28-15-11-16-18(17(12-15)29-2)20(25-7-9-30-10-8-25)23-19(22-16)13-3-5-14(6-4-13)21(26)24-27/h3-6,11-12,27H,7-10H2,1-2H3,(H,24,26).
What are the key properties of 4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide?
4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide has a molecular weight of 410.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide is sourced from PubChem (CID 164626283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).