4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid

C16H17N3O2 — CID 64624158

IUPAC4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1NC1CC2CCC1C2
InChIInChI=1S/C16H17N3O2/c20-16(21)15-14(11-3-1-2-4-12(11)18-19-15)17-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H,17,18)(H,20,21)
InChIKeyPNFYEBCYZDWGOH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.93
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid

4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid (PubChem CID 64624158) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid
PubChem CID64624158
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1NC1CC2CCC1C2
InChIInChI=1S/C16H17N3O2/c20-16(21)15-14(11-3-1-2-4-12(11)18-19-15)17-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H,17,18)(H,20,21)
InChIKeyPNFYEBCYZDWGOH-UHFFFAOYSA-N
XLogP2.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid (CID 64624158) is 4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid is O=C(O)c1nnc2ccccc2c1NC1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid?
The InChIKey is PNFYEBCYZDWGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(21)15-14(11-3-1-2-4-12(11)18-19-15)17-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H,17,18)(H,20,21).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid?
4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylamino)cinnoline-3-carboxylic acid is sourced from PubChem (CID 64624158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).