1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide

C26H27N5O — CID 10455096

IUPAC1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide
SMILESCc1cc(-n2nnc(C(=O)Nc3ccccc3)c2C)c2cc(C3CCCCC3)ccc2n1
InChIInChI=1S/C26H27N5O/c1-17-15-24(22-16-20(13-14-23(22)27-17)19-9-5-3-6-10-19)31-18(2)25(29-30-31)26(32)28-21-11-7-4-8-12-21/h4,7-8,11-16,19H,3,5-6,9-10H2,1-2H3,(H,28,32)
InChIKeyCUJGTNGPYNJQGA-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.73
Rot. Bonds4

About 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide

1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide (PubChem CID 10455096) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide
PubChem CID10455096
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide
SMILESCc1cc(-n2nnc(C(=O)Nc3ccccc3)c2C)c2cc(C3CCCCC3)ccc2n1
InChIInChI=1S/C26H27N5O/c1-17-15-24(22-16-20(13-14-23(22)27-17)19-9-5-3-6-10-19)31-18(2)25(29-30-31)26(32)28-21-11-7-4-8-12-21/h4,7-8,11-16,19H,3,5-6,9-10H2,1-2H3,(H,28,32)
InChIKeyCUJGTNGPYNJQGA-UHFFFAOYSA-N
XLogP5.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide?
The IUPAC name of 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide (CID 10455096) is 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide is Cc1cc(-n2nnc(C(=O)Nc3ccccc3)c2C)c2cc(C3CCCCC3)ccc2n1.
What is the InChIKey of 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide?
The InChIKey is CUJGTNGPYNJQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-17-15-24(22-16-20(13-14-23(22)27-17)19-9-5-3-6-10-19)31-18(2)25(29-30-31)26(32)28-21-11-7-4-8-12-21/h4,7-8,11-16,19H,3,5-6,9-10H2,1-2H3,(H,28,32).
What are the key properties of 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide?
1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-methyl-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 10455096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).