2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide

C23H17ClN4O4S — CID 3136415

IUPAC2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C23H17ClN4O4S/c1-32-20-12-16(28(30)31)8-10-19(20)25-21(29)13-33-23-17-11-15(24)7-9-18(17)26-22(27-23)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,25,29)
InChIKeyPGTAIEXNBGNTAN-UHFFFAOYSA-N
MW480.93 g/mol
LogP5.60
Rot. Bonds7

About 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide

2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 3136415) has the molecular formula C23H17ClN4O4S and a molecular weight of 480.93 g/mol. Its IUPAC name is 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID3136415
Molecular FormulaC23H17ClN4O4S
Molecular Weight480.93 g/mol
Exact Mass480.07
IUPAC Name2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C23H17ClN4O4S/c1-32-20-12-16(28(30)31)8-10-19(20)25-21(29)13-33-23-17-11-15(24)7-9-18(17)26-22(27-23)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,25,29)
InChIKeyPGTAIEXNBGNTAN-UHFFFAOYSA-N
XLogP5.60
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.93
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(3-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3127739
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166643
2-[(2-benzoyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3127733
N-(2-bromophenyl)-2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136408
2-[8-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3137270
N-(4-nitrophenyl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3134204
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8680444
N-(3-nitrophenyl)-2-(2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3134201
2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3137509
2-(6-methoxy-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 1164159
N-(2-methoxy-4-nitrophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide
CID 8708602
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide (CID 3136415) is 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is PGTAIEXNBGNTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O4S/c1-32-20-12-16(28(30)31)8-10-19(20)25-21(29)13-33-23-17-11-15(24)7-9-18(17)26-22(27-23)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,25,29).
What are the key properties of 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide?
2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 480.93 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 3136415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).