quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid

C19H10N4O2 — CID 11221079

IUPACquinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid
SMILESO=C(O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C19H10N4O2/c24-19(25)10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15/h1-9H,(H,24,25)
InChIKeyJKBDXDNPNLMMHQ-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.58
Rot. Bonds1

About quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid

quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid (PubChem CID 11221079) has the molecular formula C19H10N4O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid.

Molecular Properties

Compound Namequinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid
PubChem CID11221079
Molecular FormulaC19H10N4O2
Molecular Weight326.32 g/mol
Exact Mass326.08
IUPAC Namequinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid
SMILESO=C(O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C19H10N4O2/c24-19(25)10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15/h1-9H,(H,24,25)
InChIKeyJKBDXDNPNLMMHQ-UHFFFAOYSA-N
XLogP3.58
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze quinoxalino[3,2-f][1,10]phenanthroline-11-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 quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid?
The IUPAC name of quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid (CID 11221079) is quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid.
What is the SMILES notation for quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid?
The canonical SMILES for quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid is O=C(O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.
What is the InChIKey of quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid?
The InChIKey is JKBDXDNPNLMMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N4O2/c24-19(25)10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15/h1-9H,(H,24,25).
What are the key properties of quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid?
quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid has a molecular weight of 326.32 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalino[3,2-f][1,10]phenanthroline-11-carboxylic acid is sourced from PubChem (CID 11221079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).