N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide

C21H18N6O2 — CID 55881693

IUPACN'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide
SMILESCc1ccc(-n2nnc(C(=O)NNC(=O)c3ccc4ccccc4n3)c2C)cc1
InChIInChI=1S/C21H18N6O2/c1-13-7-10-16(11-8-13)27-14(2)19(23-26-27)21(29)25-24-20(28)18-12-9-15-5-3-4-6-17(15)22-18/h3-12H,1-2H3,(H,24,28)(H,25,29)
InChIKeyFFMULLLEAZGHKE-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.51
Rot. Bonds3

About N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide

N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide (PubChem CID 55881693) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide
PubChem CID55881693
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide
SMILESCc1ccc(-n2nnc(C(=O)NNC(=O)c3ccc4ccccc4n3)c2C)cc1
InChIInChI=1S/C21H18N6O2/c1-13-7-10-16(11-8-13)27-14(2)19(23-26-27)21(29)25-24-20(28)18-12-9-15-5-3-4-6-17(15)22-18/h3-12H,1-2H3,(H,24,28)(H,25,29)
InChIKeyFFMULLLEAZGHKE-UHFFFAOYSA-N
XLogP2.51
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
1-(4-methylphenyl)-3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]thiourea
CID 985458
N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide
CID 78868409
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 94595018
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 60527228
5-methyl-N-[2-(methylamino)propyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 120829414
3-methyl-2-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119170359
1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375578
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55874855

Frequently Asked Questions

What is the IUPAC name of N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide (CID 55881693) is N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide is Cc1ccc(-n2nnc(C(=O)NNC(=O)c3ccc4ccccc4n3)c2C)cc1.
What is the InChIKey of N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide?
The InChIKey is FFMULLLEAZGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-13-7-10-16(11-8-13)27-14(2)19(23-26-27)21(29)25-24-20(28)18-12-9-15-5-3-4-6-17(15)22-18/h3-12H,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide?
N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide has a molecular weight of 386.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 55881693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).