N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C21H19N5O2 — CID 74243480

IUPACN-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccc2cccc(OCCNC(=O)c3ccccc3-c3ncn[nH]3)c2n1
InChIInChI=1S/C21H19N5O2/c1-14-9-10-15-5-4-8-18(19(15)25-14)28-12-11-22-21(27)17-7-3-2-6-16(17)20-23-13-24-26-20/h2-10,13H,11-12H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyZMINCGYIPGTYEQ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 74243480) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID74243480
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccc2cccc(OCCNC(=O)c3ccccc3-c3ncn[nH]3)c2n1
InChIInChI=1S/C21H19N5O2/c1-14-9-10-15-5-4-8-18(19(15)25-14)28-12-11-22-21(27)17-7-3-2-6-16(17)20-23-13-24-26-20/h2-10,13H,11-12H2,1H3,(H,22,27)(H,23,24,26)
InChIKeyZMINCGYIPGTYEQ-UHFFFAOYSA-N
XLogP3.14
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
CID 2183287
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
4,6-dimethyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 70782828
5-cyclopropyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-1H-pyrazole-3-carboxamide
CID 74242121
4-(6-aminopyrazin-2-yl)-N-[2-(2-methylquinolin-8-yl)oxyethyl]benzamide
CID 162632263
6-cyclobutyl-4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxopyran-3-carboxamide
CID 170504165
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 131927854
5-methoxy-2-methyl-N-(2-quinolin-8-yloxyethyl)pyridine-4-carboxamide
CID 146039784
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide
CID 119429883
N-[2-(2-methylquinolin-8-yl)oxyethyl]cyclopropanamine
CID 43352216
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 119429882

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 74243480) is N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is Cc1ccc2cccc(OCCNC(=O)c3ccccc3-c3ncn[nH]3)c2n1.
What is the InChIKey of N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is ZMINCGYIPGTYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-9-10-15-5-4-8-18(19(15)25-14)28-12-11-22-21(27)17-7-3-2-6-16(17)20-23-13-24-26-20/h2-10,13H,11-12H2,1H3,(H,22,27)(H,23,24,26).
What are the key properties of N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 373.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 74243480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).