2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide

C25H23N3O5 — CID 29169171

IUPAC2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)oc3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C25H23N3O5/c1-14-11-18(15(2)33-14)24(29)27-28-25(30)19-13-21(26-20-8-6-5-7-17(19)20)16-9-10-22(31-3)23(12-16)32-4/h5-13H,1-4H3,(H,27,29)(H,28,30)
InChIKeyLUGBZYCQELFZAY-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.20
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide

2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide (PubChem CID 29169171) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide
PubChem CID29169171
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)oc3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C25H23N3O5/c1-14-11-18(15(2)33-14)24(29)27-28-25(30)19-13-21(26-20-8-6-5-7-17(19)20)16-9-10-22(31-3)23(12-16)32-4/h5-13H,1-4H3,(H,27,29)(H,28,30)
InChIKeyLUGBZYCQELFZAY-UHFFFAOYSA-N
XLogP4.20
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216
2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide
CID 55376531
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-[(2S)-1-[2-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 52507937
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 16550601
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
N-(4-carbamoyl-3-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 56516872
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 8820337
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide (CID 29169171) is 2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C)oc3C)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide?
The InChIKey is LUGBZYCQELFZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-14-11-18(15(2)33-14)24(29)27-28-25(30)19-13-21(26-20-8-6-5-7-17(19)20)16-9-10-22(31-3)23(12-16)32-4/h5-13H,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide?
2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide has a molecular weight of 445.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 29169171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).