11-nitroquinoxalino[2,3-f][1,10]phenanthroline

C18H9N5O2 — CID 10520237

IUPAC11-nitroquinoxalino[2,3-f][1,10]phenanthroline
SMILESO=[N+]([O-])c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C18H9N5O2/c24-23(25)10-5-6-13-14(9-10)22-18-12-4-2-8-20-16(12)15-11(17(18)21-13)3-1-7-19-15/h1-9H
InChIKeyKKIQKNNKSNXDNT-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.79
Rot. Bonds1

About 11-nitroquinoxalino[2,3-f][1,10]phenanthroline

11-nitroquinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 10520237) has the molecular formula C18H9N5O2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 11-nitroquinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name11-nitroquinoxalino[2,3-f][1,10]phenanthroline
PubChem CID10520237
Molecular FormulaC18H9N5O2
Molecular Weight327.30 g/mol
Exact Mass327.08
IUPAC Name11-nitroquinoxalino[2,3-f][1,10]phenanthroline
SMILESO=[N+]([O-])c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C18H9N5O2/c24-23(25)10-5-6-13-14(9-10)22-18-12-4-2-8-20-16(12)15-11(17(18)21-13)3-1-7-19-15/h1-9H
InChIKeyKKIQKNNKSNXDNT-UHFFFAOYSA-N
XLogP3.79
TPSA94.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-nitroquinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of 11-nitroquinoxalino[2,3-f][1,10]phenanthroline (CID 10520237) is 11-nitroquinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 11-nitroquinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 11-nitroquinoxalino[2,3-f][1,10]phenanthroline is O=[N+]([O-])c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.
What is the InChIKey of 11-nitroquinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is KKIQKNNKSNXDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9N5O2/c24-23(25)10-5-6-13-14(9-10)22-18-12-4-2-8-20-16(12)15-11(17(18)21-13)3-1-7-19-15/h1-9H.
What are the key properties of 11-nitroquinoxalino[2,3-f][1,10]phenanthroline?
11-nitroquinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 327.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-nitroquinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 10520237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).