2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide

C20H20FN3O2S — CID 46484603

IUPAC2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1ccc2nc(SCC(=O)N(C)Cc3cccc(F)c3)n(C)c(=O)c2c1
InChIInChI=1S/C20H20FN3O2S/c1-13-7-8-17-16(9-13)19(26)24(3)20(22-17)27-12-18(25)23(2)11-14-5-4-6-15(21)10-14/h4-10H,11-12H2,1-3H3
InChIKeyUKKZQTBQXHWGFC-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.13
Rot. Bonds5

About 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 46484603) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID46484603
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1ccc2nc(SCC(=O)N(C)Cc3cccc(F)c3)n(C)c(=O)c2c1
InChIInChI=1S/C20H20FN3O2S/c1-13-7-8-17-16(9-13)19(26)24(3)20(22-17)27-12-18(25)23(2)11-14-5-4-6-15(21)10-14/h4-10H,11-12H2,1-3H3
InChIKeyUKKZQTBQXHWGFC-UHFFFAOYSA-N
XLogP3.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylacetamide
CID 47044774
N-[(3-fluorophenyl)methyl]-N-methyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9360834
2-[[2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55753334
N-methyl-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(thiophen-3-ylmethyl)acetamide
CID 8539618
N-[2-(4-bromophenoxy)ethyl]-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylacetamide
CID 55752519
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 7690578
2-[(3-fluorophenyl)methylsulfanyl]-3-methyl-4-oxoquinazoline-7-carboxylic acid
CID 45450700
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 7940413
N-benzyl-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2586169
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 40766769
2-(3-hydroxypropylsulfanyl)-3,6-dimethylquinazolin-4-one
CID 111127184
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 42411719

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 46484603) is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide is Cc1ccc2nc(SCC(=O)N(C)Cc3cccc(F)c3)n(C)c(=O)c2c1.
What is the InChIKey of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is UKKZQTBQXHWGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-13-7-8-17-16(9-13)19(26)24(3)20(22-17)27-12-18(25)23(2)11-14-5-4-6-15(21)10-14/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 385.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 46484603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).