N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide

C22H16N4O3 — CID 7661741

IUPACN'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1O
InChIInChI=1S/C22H16N4O3/c27-20-8-4-2-6-16(20)21(28)25-26-22(29)17-13-19(14-9-11-23-12-10-14)24-18-7-3-1-5-15(17)18/h1-13,27H,(H,25,28)(H,26,29)
InChIKeyPKONUXNCQTVNOG-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.08
Rot. Bonds3

About N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide

N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide (PubChem CID 7661741) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide
PubChem CID7661741
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC NameN'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1O
InChIInChI=1S/C22H16N4O3/c27-20-8-4-2-6-16(20)21(28)25-26-22(29)17-13-19(14-9-11-23-12-10-14)24-18-7-3-1-5-15(17)18/h1-13,27H,(H,25,28)(H,26,29)
InChIKeyPKONUXNCQTVNOG-UHFFFAOYSA-N
XLogP3.08
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide (CID 7661741) is N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1O.
What is the InChIKey of N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide?
The InChIKey is PKONUXNCQTVNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-20-8-4-2-6-16(20)21(28)25-26-22(29)17-13-19(14-9-11-23-12-10-14)24-18-7-3-1-5-15(17)18/h1-13,27H,(H,25,28)(H,26,29).
What are the key properties of N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide?
N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide has a molecular weight of 384.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxybenzoyl)-2-pyridin-4-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 7661741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).