1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid

C14H13N5O2 — CID 107498592

IUPAC1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNc2cnnc3ccccc23)cn1
InChIInChI=1S/C14H13N5O2/c20-14(21)13-8-19(9-16-13)6-5-15-12-7-17-18-11-4-2-1-3-10(11)12/h1-4,7-9H,5-6H2,(H,15,18)(H,20,21)
InChIKeyVVVVBYZJJWJMFQ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid

1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 107498592) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID107498592
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNc2cnnc3ccccc23)cn1
InChIInChI=1S/C14H13N5O2/c20-14(21)13-8-19(9-16-13)6-5-15-12-7-17-18-11-4-2-1-3-10(11)12/h1-4,7-9H,5-6H2,(H,15,18)(H,20,21)
InChIKeyVVVVBYZJJWJMFQ-UHFFFAOYSA-N
XLogP1.64
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid 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 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid (CID 107498592) is 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid is O=C(O)c1cn(CCNc2cnnc3ccccc23)cn1.
What is the InChIKey of 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is VVVVBYZJJWJMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-14(21)13-8-19(9-16-13)6-5-15-12-7-17-18-11-4-2-1-3-10(11)12/h1-4,7-9H,5-6H2,(H,15,18)(H,20,21).
What are the key properties of 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid?
1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107498592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).