2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide

C23H19N5OS — CID 7210077

IUPAC2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c2ccccc2n1
InChIInChI=1S/C23H19N5OS/c1-16-24-21-10-6-5-9-20(21)23(25-16)30-15-22(29)26-17-11-13-19(14-12-17)28-27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,26,29)/b28-27+
InChIKeyZTZYADLBKIDCCK-BYYHNAKLSA-N
MW413.51 g/mol
LogP6.08
Rot. Bonds6

About 2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide

2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide (PubChem CID 7210077) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
PubChem CID7210077
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c2ccccc2n1
InChIInChI=1S/C23H19N5OS/c1-16-24-21-10-6-5-9-20(21)23(25-16)30-15-22(29)26-17-11-13-19(14-12-17)28-27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,26,29)/b28-27+
InChIKeyZTZYADLBKIDCCK-BYYHNAKLSA-N
XLogP6.08
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
CID 7145882
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-(3-chloro-4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145571
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 4006533
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 3620741
N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7144886
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide?
The IUPAC name of 2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide (CID 7210077) is 2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide?
The canonical SMILES for 2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide is Cc1nc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide?
The InChIKey is ZTZYADLBKIDCCK-BYYHNAKLSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-16-24-21-10-6-5-9-20(21)23(25-16)30-15-22(29)26-17-11-13-19(14-12-17)28-27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,26,29)/b28-27+.
What are the key properties of 2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide?
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide has a molecular weight of 413.51 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide is sourced from PubChem (CID 7210077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).