(6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone

C19H22N6O — CID 118794611

IUPAC(6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1ccc2nc(C)cc(C(=O)N3CCN(c4ncn[nH]4)CC3)c2c1
InChIInChI=1S/C19H22N6O/c1-3-14-4-5-17-15(11-14)16(10-13(2)22-17)18(26)24-6-8-25(9-7-24)19-20-12-21-23-19/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,21,23)
InChIKeyVQFWTCFNLWSVFM-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.19
Rot. Bonds3

About (6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone

(6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (PubChem CID 118794611) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
PubChem CID118794611
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCCc1ccc2nc(C)cc(C(=O)N3CCN(c4ncn[nH]4)CC3)c2c1
InChIInChI=1S/C19H22N6O/c1-3-14-4-5-17-15(11-14)16(10-13(2)22-17)18(26)24-6-8-25(9-7-24)19-20-12-21-23-19/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,21,23)
InChIKeyVQFWTCFNLWSVFM-UHFFFAOYSA-N
XLogP2.19
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (CID 118794611) is (6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is CCc1ccc2nc(C)cc(C(=O)N3CCN(c4ncn[nH]4)CC3)c2c1.
What is the InChIKey of (6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is VQFWTCFNLWSVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-14-4-5-17-15(11-14)16(10-13(2)22-17)18(26)24-6-8-25(9-7-24)19-20-12-21-23-19/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,21,23).
What are the key properties of (6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
(6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 118794611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).