N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide

C19H15N5O2 — CID 78868409

IUPACN'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide
SMILESCc1ccc2[nH]nc(C(=O)NNC(=O)c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C19H15N5O2/c1-11-6-8-15-13(10-11)17(22-21-15)19(26)24-23-18(25)16-9-7-12-4-2-3-5-14(12)20-16/h2-10H,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyOGWUGMURKDRXFR-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.49
Rot. Bonds2

About N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide

N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide (PubChem CID 78868409) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide
PubChem CID78868409
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide
SMILESCc1ccc2[nH]nc(C(=O)NNC(=O)c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C19H15N5O2/c1-11-6-8-15-13(10-11)17(22-21-15)19(26)24-23-18(25)16-9-7-12-4-2-3-5-14(12)20-16/h2-10H,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyOGWUGMURKDRXFR-UHFFFAOYSA-N
XLogP2.49
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide (CID 78868409) is N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide is Cc1ccc2[nH]nc(C(=O)NNC(=O)c3ccc4ccccc4n3)c2c1.
What is the InChIKey of N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide?
The InChIKey is OGWUGMURKDRXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-11-6-8-15-13(10-11)17(22-21-15)19(26)24-23-18(25)16-9-7-12-4-2-3-5-14(12)20-16/h2-10H,1H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide?
N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide has a molecular weight of 345.36 g/mol, XLogP of 2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 78868409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).