N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

C19H23N5O2 — CID 46959041

IUPACN-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESCc1nc2ccccc2c2nn(CC(=O)N(C)C3CCCCC3)c(=O)n12
InChIInChI=1S/C19H23N5O2/c1-13-20-16-11-7-6-10-15(16)18-21-23(19(26)24(13)18)12-17(25)22(2)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3
InChIKeyAMWRLVCYWIVSSV-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.14
Rot. Bonds3

About N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (PubChem CID 46959041) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
PubChem CID46959041
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESCc1nc2ccccc2c2nn(CC(=O)N(C)C3CCCCC3)c(=O)n12
InChIInChI=1S/C19H23N5O2/c1-13-20-16-11-7-6-10-15(16)18-21-23(19(26)24(13)18)12-17(25)22(2)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3
InChIKeyAMWRLVCYWIVSSV-UHFFFAOYSA-N
XLogP2.14
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (CID 46959041) is N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is Cc1nc2ccccc2c2nn(CC(=O)N(C)C3CCCCC3)c(=O)n12.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The InChIKey is AMWRLVCYWIVSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-20-16-11-7-6-10-15(16)18-21-23(19(26)24(13)18)12-17(25)22(2)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide has a molecular weight of 353.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 46959041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).