4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide

C20H17ClF2N4O2 — CID 164626551

IUPAC4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(-c2nc(N3CCC(F)(F)CC3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C20H17ClF2N4O2/c21-14-5-6-15-16(11-14)24-17(12-1-3-13(4-2-12)19(28)26-29)25-18(15)27-9-7-20(22,23)8-10-27/h1-6,11,29H,7-10H2,(H,26,28)
InChIKeyVDJGBVUDQMXKEM-UHFFFAOYSA-N
MW418.83 g/mol
LogP4.30
Rot. Bonds3

About 4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide

4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide (PubChem CID 164626551) has the molecular formula C20H17ClF2N4O2 and a molecular weight of 418.83 g/mol. Its IUPAC name is 4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide
PubChem CID164626551
Molecular FormulaC20H17ClF2N4O2
Molecular Weight418.83 g/mol
Exact Mass418.10
IUPAC Name4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(-c2nc(N3CCC(F)(F)CC3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C20H17ClF2N4O2/c21-14-5-6-15-16(11-14)24-17(12-1-3-13(4-2-12)19(28)26-29)25-18(15)27-9-7-20(22,23)8-10-27/h1-6,11,29H,7-10H2,(H,26,28)
InChIKeyVDJGBVUDQMXKEM-UHFFFAOYSA-N
XLogP4.30
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.83
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-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-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide?
The IUPAC name of 4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide (CID 164626551) is 4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide?
The canonical SMILES for 4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide is O=C(NO)c1ccc(-c2nc(N3CCC(F)(F)CC3)c3ccc(Cl)cc3n2)cc1.
What is the InChIKey of 4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide?
The InChIKey is VDJGBVUDQMXKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4O2/c21-14-5-6-15-16(11-14)24-17(12-1-3-13(4-2-12)19(28)26-29)25-18(15)27-9-7-20(22,23)8-10-27/h1-6,11,29H,7-10H2,(H,26,28).
What are the key properties of 4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide?
4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide has a molecular weight of 418.83 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-4-(4,4-difluoropiperidin-1-yl)quinazolin-2-yl]-N-hydroxybenzamide is sourced from PubChem (CID 164626551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).