2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide

C24H20ClN3OS — CID 46934536

IUPAC2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H20ClN3OS/c1-15-3-7-17(8-4-15)23-27-21-12-9-18(25)13-20(21)24(28-23)30-14-22(29)26-19-10-5-16(2)6-11-19/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyGNQMSRJPVNKOID-UHFFFAOYSA-N
MW433.96 g/mol
LogP6.30
Rot. Bonds5

About 2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide

2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 46934536) has the molecular formula C24H20ClN3OS and a molecular weight of 433.96 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID46934536
Molecular FormulaC24H20ClN3OS
Molecular Weight433.96 g/mol
Exact Mass433.10
IUPAC Name2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H20ClN3OS/c1-15-3-7-17(8-4-15)23-27-21-12-9-18(25)13-20(21)24(28-23)30-14-22(29)26-19-10-5-16(2)6-11-19/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyGNQMSRJPVNKOID-UHFFFAOYSA-N
XLogP6.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.96
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
CID 135449834
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
N-Butyl-2-[(2-propylquinazolin-4-YL)sulfanyl]acetamide
CID 3221482
N-(3-Acetylamino-phenyl)-2-(2-cyclopropyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1435153
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-tert-butyl-acetamide
CID 1442488
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-(1,1-dimethyl-propyl)-acetamide
CID 1442570
N-[4-(dimethylamino)phenyl]-2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetamide
CID 1442821
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-butyl-acetamide
CID 3221474
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)quinazolin-4-amine
CID 3375513
3-[(6-Chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 5113004
N-(3-chloro-4-methylphenyl)-2-(2-methyl-6-phenylpyrimidin-4-ylthio)acetamide
CID 16015070
N-(2-chlorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-ylthio)propanamide
CID 16015102

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide (CID 46934536) is 2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is GNQMSRJPVNKOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3OS/c1-15-3-7-17(8-4-15)23-27-21-12-9-18(25)13-20(21)24(28-23)30-14-22(29)26-19-10-5-16(2)6-11-19/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of 2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 433.96 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 46934536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).