3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C14H19N5O2 — CID 77002224

IUPAC3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)c1cnnc2ccccc12
InChIInChI=1S/C14H19N5O2/c1-21-9-8-19(7-6-14(15)18-20)13-10-16-17-12-5-3-2-4-11(12)13/h2-5,10,20H,6-9H2,1H3,(H2,15,18)
InChIKeyLPMQRSWXFSWBIQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.22
Rot. Bonds7

About 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77002224) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID77002224
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)c1cnnc2ccccc12
InChIInChI=1S/C14H19N5O2/c1-21-9-8-19(7-6-14(15)18-20)13-10-16-17-12-5-3-2-4-11(12)13/h2-5,10,20H,6-9H2,1H3,(H2,15,18)
InChIKeyLPMQRSWXFSWBIQ-UHFFFAOYSA-N
XLogP1.22
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 77002224) is 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CCC(N)=NO)c1cnnc2ccccc12.
What is the InChIKey of 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is LPMQRSWXFSWBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-21-9-8-19(7-6-14(15)18-20)13-10-16-17-12-5-3-2-4-11(12)13/h2-5,10,20H,6-9H2,1H3,(H2,15,18).
What are the key properties of 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 289.34 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cinnolin-4-yl(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77002224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).