2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C22H18FN3O2S — CID 648874

IUPAC2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc2c(SCC(=O)NCc3ccco3)nc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H18FN3O2S/c1-14-4-9-18-19(11-14)25-21(15-5-7-16(23)8-6-15)26-22(18)29-13-20(27)24-12-17-3-2-10-28-17/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyXEEKHXFBKNYKAL-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.75
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 648874) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID648874
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc2c(SCC(=O)NCc3ccco3)nc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H18FN3O2S/c1-14-4-9-18-19(11-14)25-21(15-5-7-16(23)8-6-15)26-22(18)29-13-20(27)24-12-17-3-2-10-28-17/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyXEEKHXFBKNYKAL-UHFFFAOYSA-N
XLogP4.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 648874) is 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is Cc1ccc2c(SCC(=O)NCc3ccco3)nc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XEEKHXFBKNYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c1-14-4-9-18-19(11-14)25-21(15-5-7-16(23)8-6-15)26-22(18)29-13-20(27)24-12-17-3-2-10-28-17/h2-11H,12-13H2,1H3,(H,24,27).
What are the key properties of 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 648874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).