5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide

C19H22N6O2 — CID 75462818

IUPAC5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(=O)NCC(C)C)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C19H22N6O2/c1-12(2)10-21-17(26)11-22-19(27)18-13(3)25(24-23-18)15-6-7-16-14(9-15)5-4-8-20-16/h4-9,12H,10-11H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyRUMVBCBPLBSXFM-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.63
Rot. Bonds6

About 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide

5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide (PubChem CID 75462818) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide
PubChem CID75462818
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(=O)NCC(C)C)nnn1-c1ccc2ncccc2c1
InChIInChI=1S/C19H22N6O2/c1-12(2)10-21-17(26)11-22-19(27)18-13(3)25(24-23-18)15-6-7-16-14(9-15)5-4-8-20-16/h4-9,12H,10-11H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyRUMVBCBPLBSXFM-UHFFFAOYSA-N
XLogP1.63
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide (CID 75462818) is 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide is Cc1c(C(=O)NCC(=O)NCC(C)C)nnn1-c1ccc2ncccc2c1.
What is the InChIKey of 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide?
The InChIKey is RUMVBCBPLBSXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(2)10-21-17(26)11-22-19(27)18-13(3)25(24-23-18)15-6-7-16-14(9-15)5-4-8-20-16/h4-9,12H,10-11H2,1-3H3,(H,21,26)(H,22,27).
What are the key properties of 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide?
5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide is sourced from PubChem (CID 75462818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).