N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide

C26H24FN3O2S — CID 46860836

IUPACN-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C26H24FN3O2S/c1-3-29(21-8-6-7-18(2)15-21)24(31)17-33-26-28-23-10-5-4-9-22(23)25(32)30(26)16-19-11-13-20(27)14-12-19/h4-15H,3,16-17H2,1-2H3
InChIKeyAAXVXXGOGLPQBQ-UHFFFAOYSA-N
MW461.56 g/mol
LogP5.04
Rot. Bonds7

About N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide

N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 46860836) has the molecular formula C26H24FN3O2S and a molecular weight of 461.56 g/mol. Its IUPAC name is N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID46860836
Molecular FormulaC26H24FN3O2S
Molecular Weight461.56 g/mol
Exact Mass461.16
IUPAC NameN-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C26H24FN3O2S/c1-3-29(21-8-6-7-18(2)15-21)24(31)17-33-26-28-23-10-5-4-9-22(23)25(32)30(26)16-19-11-13-20(27)14-12-19/h4-15H,3,16-17H2,1-2H3
InChIKeyAAXVXXGOGLPQBQ-UHFFFAOYSA-N
XLogP5.04
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide with MolForge

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Related Compounds

2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide
CID 4112665
ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2618905
2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 2086713
2-[3-[(3-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(3-methylphenyl)acetamide
CID 46925190
N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2531105
2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 51366834
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
CID 55468227
N-ethyl-2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide
CID 45030789
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 8017652
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 7738199

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide (CID 46860836) is N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is AAXVXXGOGLPQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2S/c1-3-29(21-8-6-7-18(2)15-21)24(31)17-33-26-28-23-10-5-4-9-22(23)25(32)30(26)16-19-11-13-20(27)14-12-19/h4-15H,3,16-17H2,1-2H3.
What are the key properties of N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide?
N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 461.56 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 46860836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).