4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide

C21H22N4O4 — CID 164615409

IUPAC4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide
SMILESCOc1cc(OC)c2c(N3CCCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1
InChIInChI=1S/C21H22N4O4/c1-28-15-11-16-18(17(12-15)29-2)20(25-9-3-4-10-25)23-19(22-16)13-5-7-14(8-6-13)21(26)24-27/h5-8,11-12,27H,3-4,9-10H2,1-2H3,(H,24,26)
InChIKeyVKCYITYWNHOJSI-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.03
Rot. Bonds5

About 4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide

4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide (PubChem CID 164615409) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide
PubChem CID164615409
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide
SMILESCOc1cc(OC)c2c(N3CCCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1
InChIInChI=1S/C21H22N4O4/c1-28-15-11-16-18(17(12-15)29-2)20(25-9-3-4-10-25)23-19(22-16)13-5-7-14(8-6-13)21(26)24-27/h5-8,11-12,27H,3-4,9-10H2,1-2H3,(H,24,26)
InChIKeyVKCYITYWNHOJSI-UHFFFAOYSA-N
XLogP3.03
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.03
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 4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide 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-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide?
The IUPAC name of 4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide (CID 164615409) is 4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide.
What is the SMILES notation for 4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide?
The canonical SMILES for 4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide is COc1cc(OC)c2c(N3CCCC3)nc(-c3ccc(C(=O)NO)cc3)nc2c1.
What is the InChIKey of 4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide?
The InChIKey is VKCYITYWNHOJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-15-11-16-18(17(12-15)29-2)20(25-9-3-4-10-25)23-19(22-16)13-5-7-14(8-6-13)21(26)24-27/h5-8,11-12,27H,3-4,9-10H2,1-2H3,(H,24,26).
What are the key properties of 4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide?
4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide has a molecular weight of 394.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)-N-hydroxybenzamide is sourced from PubChem (CID 164615409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).