N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide

C21H13Cl2N5O2 — CID 4963799

IUPACN'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C21H13Cl2N5O2/c22-15-9-12(11-25-19(15)23)20(29)27-28-21(30)14-10-18(17-7-3-4-8-24-17)26-16-6-2-1-5-13(14)16/h1-11H,(H,27,29)(H,28,30)
InChIKeyGUOTXYWMGMIIBC-UHFFFAOYSA-N
MW438.27 g/mol
LogP4.07
Rot. Bonds3

About N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide

N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide (PubChem CID 4963799) has the molecular formula C21H13Cl2N5O2 and a molecular weight of 438.27 g/mol. Its IUPAC name is N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
PubChem CID4963799
Molecular FormulaC21H13Cl2N5O2
Molecular Weight438.27 g/mol
Exact Mass437.04
IUPAC NameN'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C21H13Cl2N5O2/c22-15-9-12(11-25-19(15)23)20(29)27-28-21(30)14-10-18(17-7-3-4-8-24-17)26-16-6-2-1-5-13(14)16/h1-11H,(H,27,29)(H,28,30)
InChIKeyGUOTXYWMGMIIBC-UHFFFAOYSA-N
XLogP4.07
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
CID 4801871
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 42386438
N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 27680084
2-(2-chlorophenyl)-N'-(pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 26641277
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
CID 2087408
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
2-(2-chlorophenyl)-N'-(2-chloropyridine-4-carbonyl)quinoline-4-carbohydrazide
CID 46523882
2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
CID 40599644

Frequently Asked Questions

What is the IUPAC name of N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide (CID 4963799) is N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
The InChIKey is GUOTXYWMGMIIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N5O2/c22-15-9-12(11-25-19(15)23)20(29)27-28-21(30)14-10-18(17-7-3-4-8-24-17)26-16-6-2-1-5-13(14)16/h1-11H,(H,27,29)(H,28,30).
What are the key properties of N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide?
N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide has a molecular weight of 438.27 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 4963799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).