N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

C26H21N5O4 — CID 43011099

IUPACN'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C26H21N5O4/c1-2-13-31-26(34)18-10-4-3-9-17(18)23(30-31)25(33)29-28-24(32)19-15-21(22-12-7-14-35-22)27-20-11-6-5-8-16(19)20/h3-12,14-15H,2,13H2,1H3,(H,28,32)(H,29,33)
InChIKeyJCBAXTFJWPGUAM-UHFFFAOYSA-N
MW467.49 g/mol
LogP3.69
Rot. Bonds5

About N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide (PubChem CID 43011099) has the molecular formula C26H21N5O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
PubChem CID43011099
Molecular FormulaC26H21N5O4
Molecular Weight467.49 g/mol
Exact Mass467.16
IUPAC NameN'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C26H21N5O4/c1-2-13-31-26(34)18-10-4-3-9-17(18)23(30-31)25(33)29-28-24(32)19-15-21(22-12-7-14-35-22)27-20-11-6-5-8-16(19)20/h3-12,14-15H,2,13H2,1H3,(H,28,32)(H,29,33)
InChIKeyJCBAXTFJWPGUAM-UHFFFAOYSA-N
XLogP3.69
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
2-(furan-2-yl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 134051137
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55341225
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
N-[4-[2-[2-[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 134029227
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
2-(furan-2-yl)-N'-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]quinoline-4-carbohydrazide
CID 55913517
2-(furan-2-yl)-N'-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 55789537
N'-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)quinoline-4-carbohydrazide
CID 2469170
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide (CID 43011099) is N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc2c1=O.
What is the InChIKey of N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
The InChIKey is JCBAXTFJWPGUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4/c1-2-13-31-26(34)18-10-4-3-9-17(18)23(30-31)25(33)29-28-24(32)19-15-21(22-12-7-14-35-22)27-20-11-6-5-8-16(19)20/h3-12,14-15H,2,13H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide?
N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide has a molecular weight of 467.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)quinoline-4-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 43011099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).