N'-(4-methylquinolin-2-yl)benzohydrazide

C17H15N3O — CID 899710

IUPACN'-(4-methylquinolin-2-yl)benzohydrazide
SMILESCc1cc(NNC(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H15N3O/c1-12-11-16(18-15-10-6-5-9-14(12)15)19-20-17(21)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyGJQSIINEQVEBJN-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.30
Rot. Bonds3

About N'-(4-methylquinolin-2-yl)benzohydrazide

N'-(4-methylquinolin-2-yl)benzohydrazide (PubChem CID 899710) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N'-(4-methylquinolin-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-methylquinolin-2-yl)benzohydrazide
PubChem CID899710
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN'-(4-methylquinolin-2-yl)benzohydrazide
SMILESCc1cc(NNC(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H15N3O/c1-12-11-16(18-15-10-6-5-9-14(12)15)19-20-17(21)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyGJQSIINEQVEBJN-UHFFFAOYSA-N
XLogP3.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(4-methylquinolin-2-yl)benzohydrazide?
The IUPAC name of N'-(4-methylquinolin-2-yl)benzohydrazide (CID 899710) is N'-(4-methylquinolin-2-yl)benzohydrazide.
What is the SMILES notation for N'-(4-methylquinolin-2-yl)benzohydrazide?
The canonical SMILES for N'-(4-methylquinolin-2-yl)benzohydrazide is Cc1cc(NNC(=O)c2ccccc2)nc2ccccc12.
What is the InChIKey of N'-(4-methylquinolin-2-yl)benzohydrazide?
The InChIKey is GJQSIINEQVEBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-11-16(18-15-10-6-5-9-14(12)15)19-20-17(21)13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19)(H,20,21).
What are the key properties of N'-(4-methylquinolin-2-yl)benzohydrazide?
N'-(4-methylquinolin-2-yl)benzohydrazide has a molecular weight of 277.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylquinolin-2-yl)benzohydrazide is sourced from PubChem (CID 899710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).