N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide

C17H12ClN3O2 — CID 2823309

IUPACN'-(4-chlorobenzoyl)quinoline-6-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ncccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2/c18-14-6-3-11(4-7-14)16(22)20-21-17(23)13-5-8-15-12(10-13)2-1-9-19-15/h1-10H,(H,20,22)(H,21,23)
InChIKeyGUVSISXMWHDFMB-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.96
Rot. Bonds2

About N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide

N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide (PubChem CID 2823309) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)quinoline-6-carbohydrazide
PubChem CID2823309
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC NameN'-(4-chlorobenzoyl)quinoline-6-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ncccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O2/c18-14-6-3-11(4-7-14)16(22)20-21-17(23)13-5-8-15-12(10-13)2-1-9-19-15/h1-10H,(H,20,22)(H,21,23)
InChIKeyGUVSISXMWHDFMB-UHFFFAOYSA-N
XLogP2.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.96
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-chlorobenzoyl)quinoline-6-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide (CID 2823309) is N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide is O=C(NNC(=O)c1ccc2ncccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide?
The InChIKey is GUVSISXMWHDFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-14-6-3-11(4-7-14)16(22)20-21-17(23)13-5-8-15-12(10-13)2-1-9-19-15/h1-10H,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide?
N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide has a molecular weight of 325.76 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide is sourced from PubChem (CID 2823309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).