2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

C18H17F3N6O2 — CID 129357905

IUPAC2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2
InChIInChI=1S/C18H17F3N6O2/c19-18(20,21)11-5-6-27-14(7-11)24-25-15(27)8-22-16(28)9-26-10-23-13-4-2-1-3-12(13)17(26)29/h1-4,10-11H,5-9H2,(H,22,28)/t11-/m1/s1
InChIKeyYAJGOFOVKRWSFF-LLVKDONJSA-N
MW406.37 g/mol
LogP1.43
Rot. Bonds4

About 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 129357905) has the molecular formula C18H17F3N6O2 and a molecular weight of 406.37 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID129357905
Molecular FormulaC18H17F3N6O2
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2
InChIInChI=1S/C18H17F3N6O2/c19-18(20,21)11-5-6-27-14(7-11)24-25-15(27)8-22-16(28)9-26-10-23-13-4-2-1-3-12(13)17(26)29/h1-4,10-11H,5-9H2,(H,22,28)/t11-/m1/s1
InChIKeyYAJGOFOVKRWSFF-LLVKDONJSA-N
XLogP1.43
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide with MolForge

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Related Compounds

1-methyl-2-oxo-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 129357847
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 70744033
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453
2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969226
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 46403234
2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95229580
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 127848801

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 129357905) is 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is O=C(Cn1cnc2ccccc2c1=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is YAJGOFOVKRWSFF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17F3N6O2/c19-18(20,21)11-5-6-27-14(7-11)24-25-15(27)8-22-16(28)9-26-10-23-13-4-2-1-3-12(13)17(26)29/h1-4,10-11H,5-9H2,(H,22,28)/t11-/m1/s1.
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 406.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 129357905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).