N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide

C24H20N4O4 — CID 134029227

IUPACN-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C24H20N4O4/c1-15(29)25-17-10-8-16(9-11-17)13-23(30)27-28-24(31)19-14-21(22-7-4-12-32-22)26-20-6-3-2-5-18(19)20/h2-12,14H,13H2,1H3,(H,25,29)(H,27,30)(H,28,31)
InChIKeySTOYPXFJCVKCSE-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.46
Rot. Bonds5

About N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide

N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide (PubChem CID 134029227) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
PubChem CID134029227
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C24H20N4O4/c1-15(29)25-17-10-8-16(9-11-17)13-23(30)27-28-24(31)19-14-21(22-7-4-12-32-22)26-20-6-3-2-5-18(19)20/h2-12,14H,13H2,1H3,(H,25,29)(H,27,30)(H,28,31)
InChIKeySTOYPXFJCVKCSE-UHFFFAOYSA-N
XLogP3.46
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.46
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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Related Compounds

2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
N'-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 2469170
2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
N-(3-acetamido-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 35346205
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide
CID 55638886
2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide
CID 55495177

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide (CID 134029227) is N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1.
What is the InChIKey of N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide?
The InChIKey is STOYPXFJCVKCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15(29)25-17-10-8-16(9-11-17)13-23(30)27-28-24(31)19-14-21(22-7-4-12-32-22)26-20-6-3-2-5-18(19)20/h2-12,14H,13H2,1H3,(H,25,29)(H,27,30)(H,28,31).
What are the key properties of N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide?
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide has a molecular weight of 428.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 134029227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).