2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine

C12H15N3O3 — CID 174591909

IUPAC2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine
SMILESCOc1nc2ccccc2c(C=O)c1OC.NN
InChIInChI=1S/C12H11NO3.H4N2/c1-15-11-9(7-14)8-5-3-4-6-10(8)13-12(11)16-2;1-2/h3-7H,1-2H3;1-2H2
InChIKeyHDARBEWUVQUNTL-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.88
Rot. Bonds3

About 2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine

2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine (PubChem CID 174591909) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine.

Molecular Properties

Compound Name2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine
PubChem CID174591909
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine
SMILESCOc1nc2ccccc2c(C=O)c1OC.NN
InChIInChI=1S/C12H11NO3.H4N2/c1-15-11-9(7-14)8-5-3-4-6-10(8)13-12(11)16-2;1-2/h3-7H,1-2H3;1-2H2
InChIKeyHDARBEWUVQUNTL-UHFFFAOYSA-N
XLogP0.88
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine?
The IUPAC name of 2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine (CID 174591909) is 2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine.
What is the SMILES notation for 2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine?
The canonical SMILES for 2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine is COc1nc2ccccc2c(C=O)c1OC.NN.
What is the InChIKey of 2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine?
The InChIKey is HDARBEWUVQUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3.H4N2/c1-15-11-9(7-14)8-5-3-4-6-10(8)13-12(11)16-2;1-2/h3-7H,1-2H3;1-2H2.
What are the key properties of 2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine?
2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine has a molecular weight of 249.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxyquinoline-4-carbaldehyde;hydrazine is sourced from PubChem (CID 174591909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).