N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide

C19H16ClN5O2 — CID 164618366

IUPACN-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide
SMILESCCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c(=O)n12
InChIInChI=1S/C19H16ClN5O2/c1-2-16-22-23-18-14-5-3-4-6-15(14)24(19(27)25(16)18)11-17(26)21-13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,21,26)
InChIKeyLYLHBQWBKVGCML-UHFFFAOYSA-N
MW381.82 g/mol
LogP2.90
Rot. Bonds4

About N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide

N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide (PubChem CID 164618366) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide
PubChem CID164618366
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC NameN-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide
SMILESCCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c(=O)n12
InChIInChI=1S/C19H16ClN5O2/c1-2-16-22-23-18-14-5-3-4-6-15(14)24(19(27)25(16)18)11-17(26)21-13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,21,26)
InChIKeyLYLHBQWBKVGCML-UHFFFAOYSA-N
XLogP2.90
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide (CID 164618366) is N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide is CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c(=O)n12.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide?
The InChIKey is LYLHBQWBKVGCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-2-16-22-23-18-14-5-3-4-6-15(14)24(19(27)25(16)18)11-17(26)21-13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3,(H,21,26).
What are the key properties of N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide?
N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide has a molecular weight of 381.82 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide is sourced from PubChem (CID 164618366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).