1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone

C19H17FN2OS — CID 1442866

IUPAC1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
SMILESCC(C)c1nc(SCC(=O)c2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C19H17FN2OS/c1-12(2)18-21-16-6-4-3-5-15(16)19(22-18)24-11-17(23)13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyJONSZNRJFUOKMD-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.87
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone

1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone (PubChem CID 1442866) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
PubChem CID1442866
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone
SMILESCC(C)c1nc(SCC(=O)c2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C19H17FN2OS/c1-12(2)18-21-16-6-4-3-5-15(16)19(22-18)24-11-17(23)13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyJONSZNRJFUOKMD-UHFFFAOYSA-N
XLogP4.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Fluoro-2-phenylquinazolin-4-yl)sulfanylethanol
CID 3167738
Propan-2-yl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
CID 1442567
N-(2-oxo-2-phenylethyl)-2-(quinazolin-4-ylsulfanyl)acetamide
CID 1503574
(2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester
CID 652110
Methyl [(2-phenylquinazolin-4-yl)sulfanyl]acetate
CID 865071
(6-Fluoro-2-phenyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester
CID 865077
(6-Fluoro-2-phenyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester
CID 865078
[6-Fluoro-2-(4-fluoro-phenyl)-quinazolin-4-ylsulfanyl]-acetic acid isopropyl ester
CID 1167945
2-[6-Methyl-2-(2-oxo-2-phenyl-ethylsulfanyl)-pyrimidin-4-ylsulfanyl]-1-p-tolyl-ethanone
CID 1374630
Cyclohexanecarboxylic acid N'-[2-(2-ethyl-quinazolin-4-ylsulfanyl)-acetyl]-hydrazide
CID 1435013
N-(4-Acetyl-phenyl)-2-(2-cyclopropyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1435055
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-tert-butyl-acetamide
CID 1442488

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone (CID 1442866) is 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone is CC(C)c1nc(SCC(=O)c2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
The InChIKey is JONSZNRJFUOKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-12(2)18-21-16-6-4-3-5-15(16)19(22-18)24-11-17(23)13-7-9-14(20)10-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone?
1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone has a molecular weight of 340.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanone is sourced from PubChem (CID 1442866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).