2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

C24H28N4O2S — CID 1442464

IUPAC2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(C)(C)c1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1
InChIInChI=1S/C24H28N4O2S/c1-24(2,3)23-26-20-7-5-4-6-19(20)22(27-23)31-16-21(29)25-17-8-10-18(11-9-17)28-12-14-30-15-13-28/h4-11H,12-16H2,1-3H3,(H,25,29)
InChIKeyOAXNIMBJVHHUDA-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.49
Rot. Bonds5

About 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 1442464) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID1442464
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(C)(C)c1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1
InChIInChI=1S/C24H28N4O2S/c1-24(2,3)23-26-20-7-5-4-6-19(20)22(27-23)31-16-21(29)25-17-8-10-18(11-9-17)28-12-14-30-15-13-28/h4-11H,12-16H2,1-3H3,(H,25,29)
InChIKeyOAXNIMBJVHHUDA-UHFFFAOYSA-N
XLogP4.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (CID 1442464) is 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is CC(C)(C)c1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1.
What is the InChIKey of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is OAXNIMBJVHHUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-24(2,3)23-26-20-7-5-4-6-19(20)22(27-23)31-16-21(29)25-17-8-10-18(11-9-17)28-12-14-30-15-13-28/h4-11H,12-16H2,1-3H3,(H,25,29).
What are the key properties of 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1442464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).