2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide

C20H20FN3OS — CID 3226769

IUPAC2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(C)cc12
InChIInChI=1S/C20H20FN3OS/c1-3-10-22-18(25)12-26-20-16-11-13(2)4-9-17(16)23-19(24-20)14-5-7-15(21)8-6-14/h4-9,11H,3,10,12H2,1-2H3,(H,22,25)
InChIKeyFCTVTZHXZOPHFX-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.36
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide

2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide (PubChem CID 3226769) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide
PubChem CID3226769
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(C)cc12
InChIInChI=1S/C20H20FN3OS/c1-3-10-22-18(25)12-26-20-16-11-13(2)4-9-17(16)23-19(24-20)14-5-7-15(21)8-6-14/h4-9,11H,3,10,12H2,1-2H3,(H,22,25)
InChIKeyFCTVTZHXZOPHFX-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide
CID 3226763
N-(3-ethoxypropyl)-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide
CID 43816561
N-benzyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 3184944
2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 1459615
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1129852
N-cyclopropyl-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 1459866
N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide
CID 1167934
N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3135640
2-(6-methyl-2-phenylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 3135641
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-prop-2-enylacetamide
CID 3808223
N-(4-chlorophenyl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166672
methyl 4-[[2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate
CID 1136300

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide (CID 3226769) is 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide is CCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(C)cc12.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide?
The InChIKey is FCTVTZHXZOPHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-3-10-22-18(25)12-26-20-16-11-13(2)4-9-17(16)23-19(24-20)14-5-7-15(21)8-6-14/h4-9,11H,3,10,12H2,1-2H3,(H,22,25).
What are the key properties of 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide?
2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide has a molecular weight of 369.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 3226769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).