2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide

C27H22N4O4 — CID 55495177

IUPAC2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide
SMILESCc1ccc(-c2cnc(CCC(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)o2)cc1
InChIInChI=1S/C27H22N4O4/c1-17-8-10-18(11-9-17)24-16-28-26(35-24)13-12-25(32)30-31-27(33)20-15-22(23-7-4-14-34-23)29-21-6-3-2-5-19(20)21/h2-11,14-16H,12-13H2,1H3,(H,30,32)(H,31,33)
InChIKeyDNEXVZJGWLBXKZ-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.85
Rot. Bonds6

About 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide

2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide (PubChem CID 55495177) has the molecular formula C27H22N4O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide
PubChem CID55495177
Molecular FormulaC27H22N4O4
Molecular Weight466.50 g/mol
Exact Mass466.16
IUPAC Name2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide
SMILESCc1ccc(-c2cnc(CCC(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)o2)cc1
InChIInChI=1S/C27H22N4O4/c1-17-8-10-18(11-9-17)24-16-28-26(35-24)13-12-25(32)30-31-27(33)20-15-22(23-7-4-14-34-23)29-21-6-3-2-5-19(20)21/h2-11,14-16H,12-13H2,1H3,(H,30,32)(H,31,33)
InChIKeyDNEXVZJGWLBXKZ-UHFFFAOYSA-N
XLogP4.85
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide with MolForge

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Related Compounds

2-(furan-2-yl)-N'-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]quinoline-4-carbohydrazide
CID 55624697
2-(furan-2-yl)-N'-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]quinoline-4-carbohydrazide
CID 60548629
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227
N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24538729
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
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825231
2-(furan-2-yl)-N'-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 55789537
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide (CID 55495177) is 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide is Cc1ccc(-c2cnc(CCC(=O)NNC(=O)c3cc(-c4ccco4)nc4ccccc34)o2)cc1.
What is the InChIKey of 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide?
The InChIKey is DNEXVZJGWLBXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4/c1-17-8-10-18(11-9-17)24-16-28-26(35-24)13-12-25(32)30-31-27(33)20-15-22(23-7-4-14-34-23)29-21-6-3-2-5-19(20)21/h2-11,14-16H,12-13H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide?
2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide has a molecular weight of 466.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N'-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 55495177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).