2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C15H15F3N4O3 — CID 60544932

IUPAC2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCC(=O)NCC(F)(F)F)cnc12
InChIInChI=1S/C15H15F3N4O3/c1-9-3-2-4-10-13(9)21-8-22(14(10)25)6-12(24)19-5-11(23)20-7-15(16,17)18/h2-4,8H,5-7H2,1H3,(H,19,24)(H,20,23)
InChIKeyRITDIRMIEUITKY-UHFFFAOYSA-N
MW356.30 g/mol
LogP0.50
Rot. Bonds5

About 2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60544932) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60544932
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCC(=O)NCC(F)(F)F)cnc12
InChIInChI=1S/C15H15F3N4O3/c1-9-3-2-4-10-13(9)21-8-22(14(10)25)6-12(24)19-5-11(23)20-7-15(16,17)18/h2-4,8H,5-7H2,1H3,(H,19,24)(H,20,23)
InChIKeyRITDIRMIEUITKY-UHFFFAOYSA-N
XLogP0.50
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 17394856
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 39502253
2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102685784
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770445
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-3-pyridinyl)ethyl]acetamide
CID 136567983
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide
CID 150829256
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27016294
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30693618
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60544932) is 2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cccc2c(=O)n(CC(=O)NCC(=O)NCC(F)(F)F)cnc12.
What is the InChIKey of 2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RITDIRMIEUITKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c1-9-3-2-4-10-13(9)21-8-22(14(10)25)6-12(24)19-5-11(23)20-7-15(16,17)18/h2-4,8H,5-7H2,1H3,(H,19,24)(H,20,23).
What are the key properties of 2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 356.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60544932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).