N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide

C22H15ClN4O2 — CID 24980955

IUPACN'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClN4O2/c23-16-5-3-4-15(12-16)21(28)26-27-22(29)18-13-20(14-8-10-24-11-9-14)25-19-7-2-1-6-17(18)19/h1-13H,(H,26,28)(H,27,29)
InChIKeyHIKMJKQGBBIOCN-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.03
Rot. Bonds3

About N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide

N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide (PubChem CID 24980955) has the molecular formula C22H15ClN4O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide
PubChem CID24980955
Molecular FormulaC22H15ClN4O2
Molecular Weight402.84 g/mol
Exact Mass402.09
IUPAC NameN'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClN4O2/c23-16-5-3-4-15(12-16)21(28)26-27-22(29)18-13-20(14-8-10-24-11-9-14)25-19-7-2-1-6-17(18)19/h1-13H,(H,26,28)(H,27,29)
InChIKeyHIKMJKQGBBIOCN-UHFFFAOYSA-N
XLogP4.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.03
H-Bond Donors ≤ 52
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'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide (CID 24980955) is N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide?
The InChIKey is HIKMJKQGBBIOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O2/c23-16-5-3-4-15(12-16)21(28)26-27-22(29)18-13-20(14-8-10-24-11-9-14)25-19-7-2-1-6-17(18)19/h1-13H,(H,26,28)(H,27,29).
What are the key properties of N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide?
N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide has a molecular weight of 402.84 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 24980955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).