4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide

C19H17ClN4O2S — CID 164627540

IUPAC4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(-c2nc(N3CCSCC3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C19H17ClN4O2S/c20-14-5-6-15-16(11-14)21-17(22-18(15)24-7-9-27-10-8-24)12-1-3-13(4-2-12)19(25)23-26/h1-6,11,26H,7-10H2,(H,23,25)
InChIKeyBJCHNYULIYFBGF-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.62
Rot. Bonds3

About 4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide

4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide (PubChem CID 164627540) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide
PubChem CID164627540
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(-c2nc(N3CCSCC3)c3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C19H17ClN4O2S/c20-14-5-6-15-16(11-14)21-17(22-18(15)24-7-9-27-10-8-24)12-1-3-13(4-2-12)19(25)23-26/h1-6,11,26H,7-10H2,(H,23,25)
InChIKeyBJCHNYULIYFBGF-UHFFFAOYSA-N
XLogP3.62
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide?
The IUPAC name of 4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide (CID 164627540) is 4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide.
What is the SMILES notation for 4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide?
The canonical SMILES for 4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide is O=C(NO)c1ccc(-c2nc(N3CCSCC3)c3ccc(Cl)cc3n2)cc1.
What is the InChIKey of 4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide?
The InChIKey is BJCHNYULIYFBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c20-14-5-6-15-16(11-14)21-17(22-18(15)24-7-9-27-10-8-24)12-1-3-13(4-2-12)19(25)23-26/h1-6,11,26H,7-10H2,(H,23,25).
What are the key properties of 4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide?
4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide has a molecular weight of 400.89 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-4-thiomorpholin-4-ylquinazolin-2-yl)-N-hydroxybenzamide is sourced from PubChem (CID 164627540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).