N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide

C22H20N4O2 — CID 25354662

IUPACN'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
SMILESO=C(C[C@H]1C=CCC1)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H20N4O2/c27-21(13-15-5-1-2-6-15)25-26-22(28)18-14-20(16-9-11-23-12-10-16)24-19-8-4-3-7-17(18)19/h1,3-5,7-12,14-15H,2,6,13H2,(H,25,27)(H,26,28)/t15-/m0/s1
InChIKeyTZOCRXQQAOZESV-HNNXBMFYSA-N
MW372.43 g/mol
LogP3.41
Rot. Bonds4

About N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide

N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide (PubChem CID 25354662) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
PubChem CID25354662
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
SMILESO=C(C[C@H]1C=CCC1)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H20N4O2/c27-21(13-15-5-1-2-6-15)25-26-22(28)18-14-20(16-9-11-23-12-10-16)24-19-8-4-3-7-17(18)19/h1,3-5,7-12,14-15H,2,6,13H2,(H,25,27)(H,26,28)/t15-/m0/s1
InChIKeyTZOCRXQQAOZESV-HNNXBMFYSA-N
XLogP3.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 26796355
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23990884
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
CID 2309994
N'-[4-(dimethylamino)benzoyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 25394120
1-(2,6-dimethylphenyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiourea
CID 24651612
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72882893

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide (CID 25354662) is N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide is O=C(C[C@H]1C=CCC1)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
The InChIKey is TZOCRXQQAOZESV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21(13-15-5-1-2-6-15)25-26-22(28)18-14-20(16-9-11-23-12-10-16)24-19-8-4-3-7-17(18)19/h1,3-5,7-12,14-15H,2,6,13H2,(H,25,27)(H,26,28)/t15-/m0/s1.
What are the key properties of N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide?
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide has a molecular weight of 372.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 25354662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).