N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide

C25H20N4O2 — CID 26775351

IUPACN'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESCc1cccc(/C=C/C(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C25H20N4O2/c1-17-7-6-8-18(15-17)12-13-24(30)28-29-25(31)20-16-23(22-11-4-5-14-26-22)27-21-10-3-2-9-19(20)21/h2-16H,1H3,(H,28,30)(H,29,31)/b13-12+
InChIKeyLJMYOVAFWKELGP-OUKQBFOZSA-N
MW408.46 g/mol
LogP4.08
Rot. Bonds4

About N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide

N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide (PubChem CID 26775351) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
PubChem CID26775351
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESCc1cccc(/C=C/C(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C25H20N4O2/c1-17-7-6-8-18(15-17)12-13-24(30)28-29-25(31)20-16-23(22-11-4-5-14-26-22)27-21-10-3-2-9-19(20)21/h2-16H,1H3,(H,28,30)(H,29,31)/b13-12+
InChIKeyLJMYOVAFWKELGP-OUKQBFOZSA-N
XLogP4.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 42386438
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078735
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea
CID 1297140
N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 27680084
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
CID 4801871
N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 4963799
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135815935
2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide
CID 9472636

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide (CID 26775351) is N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide is Cc1cccc(/C=C/C(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1.
What is the InChIKey of N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
The InChIKey is LJMYOVAFWKELGP-OUKQBFOZSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-17-7-6-8-18(15-17)12-13-24(30)28-29-25(31)20-16-23(22-11-4-5-14-26-22)27-21-10-3-2-9-19(20)21/h2-16H,1H3,(H,28,30)(H,29,31)/b13-12+.
What are the key properties of N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide has a molecular weight of 408.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 26775351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).