N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide

C24H21N5O2 — CID 25394120

IUPACN'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
SMILESCN(C)c1ccc(C(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C24H21N5O2/c1-29(2)18-9-7-17(8-10-18)23(30)27-28-24(31)20-15-22(16-11-13-25-14-12-16)26-21-6-4-3-5-19(20)21/h3-15H,1-2H3,(H,27,30)(H,28,31)
InChIKeyKAINFHFBRLIQHY-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.44
Rot. Bonds4

About N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide

N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide (PubChem CID 25394120) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
PubChem CID25394120
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
SMILESCN(C)c1ccc(C(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C24H21N5O2/c1-29(2)18-9-7-17(8-10-18)23(30)27-28-24(31)20-15-22(16-11-13-25-14-12-16)26-21-6-4-3-5-19(20)21/h3-15H,1-2H3,(H,27,30)(H,28,31)
InChIKeyKAINFHFBRLIQHY-UHFFFAOYSA-N
XLogP3.44
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 3126530
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
1-(2,6-dimethylphenyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiourea
CID 24651612
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
CID 7600821
N,4-dimethyl-N-[[4-[[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]carbamoyl]phenyl]methyl]benzenesulfonamide
CID 2432161
methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
CID 26198220
N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 26796355
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide (CID 25394120) is N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide is CN(C)c1ccc(C(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
The InChIKey is KAINFHFBRLIQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-29(2)18-9-7-17(8-10-18)23(30)27-28-24(31)20-15-22(16-11-13-25-14-12-16)26-21-6-4-3-5-19(20)21/h3-15H,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide has a molecular weight of 411.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 25394120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).