2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide

C19H17N3O3 — CID 51333730

IUPAC2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)/C=C/c2cccc3cccnc23)c(C)o1
InChIInChI=1S/C19H17N3O3/c1-12-11-16(13(2)25-12)19(24)22-21-17(23)9-8-15-6-3-5-14-7-4-10-20-18(14)15/h3-11H,1-2H3,(H,21,23)(H,22,24)/b9-8+
InChIKeyVKWSFJPIEJHYCZ-CMDGGOBGSA-N
MW335.36 g/mol
LogP2.92
Rot. Bonds3

About 2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide (PubChem CID 51333730) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide
PubChem CID51333730
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)/C=C/c2cccc3cccnc23)c(C)o1
InChIInChI=1S/C19H17N3O3/c1-12-11-16(13(2)25-12)19(24)22-21-17(23)9-8-15-6-3-5-14-7-4-10-20-18(14)15/h3-11H,1-2H3,(H,21,23)(H,22,24)/b9-8+
InChIKeyVKWSFJPIEJHYCZ-CMDGGOBGSA-N
XLogP2.92
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone
CID 113230028
N,N-diethyl-3-[[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 24623463
N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide
CID 26021205
N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 25394281
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
N-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51336969
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715711
N'-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]quinoline-8-carbohydrazide
CID 49201042
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 111520087
N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
2,5-dimethyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide
CID 27668240

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide (CID 51333730) is 2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)/C=C/c2cccc3cccnc23)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide?
The InChIKey is VKWSFJPIEJHYCZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-11-16(13(2)25-12)19(24)22-21-17(23)9-8-15-6-3-5-14-7-4-10-20-18(14)15/h3-11H,1-2H3,(H,21,23)(H,22,24)/b9-8+.
What are the key properties of 2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide has a molecular weight of 335.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide is sourced from PubChem (CID 51333730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).