methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate

C19H15N3O2S — CID 3130429

IUPACmethyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H15N3O2S/c1-24-19(23)18-16(10-11-25-18)21-22-17-12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)17/h2-11,21H,1H3,(H,20,22)
InChIKeyQXPQVSIWDVOPNA-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.68
Rot. Bonds4

About methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate

methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate (PubChem CID 3130429) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate
PubChem CID3130429
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Namemethyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C19H15N3O2S/c1-24-19(23)18-16(10-11-25-18)21-22-17-12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)17/h2-11,21H,1H3,(H,20,22)
InChIKeyQXPQVSIWDVOPNA-UHFFFAOYSA-N
XLogP4.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[2-(benzenesulfonyl)hydrazinyl]thiophene-2-carboxylate
CID 2808375
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl acridine-9-carboxylate
CID 21211
methyl 3-[[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]amino]thiophene-2-carboxylate
CID 135909876
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
CID 1012487
methyl 3-[(2-bromo-2-phenylacetyl)amino]thiophene-2-carboxylate
CID 69190587
methyl 3-(3,3-diphenylpropanoylamino)thiophene-2-carboxylate
CID 3421520
methyl 3-hydroxyacridine-9-carboxylate
CID 135618678
methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate
CID 18199794

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate (CID 3130429) is methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate is COC(=O)c1sccc1NNc1c2ccccc2nc2ccccc12.
What is the InChIKey of methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate?
The InChIKey is QXPQVSIWDVOPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-24-19(23)18-16(10-11-25-18)21-22-17-12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)17/h2-11,21H,1H3,(H,20,22).
What are the key properties of methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate?
methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate has a molecular weight of 349.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-acridin-9-ylhydrazinyl)thiophene-2-carboxylate is sourced from PubChem (CID 3130429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).