N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide

C24H21N5O3S — CID 30454501

IUPACN-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C24H21N5O3S/c30-22(9-5-12-26-23(31)16-10-13-33-15-16)28-29-24(32)18-14-21(20-8-3-4-11-25-20)27-19-7-2-1-6-17(18)19/h1-4,6-8,10-11,13-15H,5,9,12H2,(H,26,31)(H,28,30)(H,29,32)
InChIKeyMOJHWQZCFLCEBB-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.33
Rot. Bonds7

About N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide

N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide (PubChem CID 30454501) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide
PubChem CID30454501
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC NameN-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C24H21N5O3S/c30-22(9-5-12-26-23(31)16-10-13-33-15-16)28-29-24(32)18-14-21(20-8-3-4-11-25-20)27-19-7-2-1-6-17(18)19/h1-4,6-8,10-11,13-15H,5,9,12H2,(H,26,31)(H,28,30)(H,29,32)
InChIKeyMOJHWQZCFLCEBB-UHFFFAOYSA-N
XLogP3.33
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
CID 4801871
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
CID 40599644
N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 42386438
N-[4-(isoquinolin-1-ylmethylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 26071493
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 27690460
N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 4963799
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 27680084
N'-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 55685382
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide (CID 30454501) is N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide is O=C(CCCNC(=O)c1ccsc1)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide?
The InChIKey is MOJHWQZCFLCEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c30-22(9-5-12-26-23(31)16-10-13-33-15-16)28-29-24(32)18-14-21(20-8-3-4-11-25-20)27-19-7-2-1-6-17(18)19/h1-4,6-8,10-11,13-15H,5,9,12H2,(H,26,31)(H,28,30)(H,29,32).
What are the key properties of N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide?
N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]butyl]thiophene-3-carboxamide is sourced from PubChem (CID 30454501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).