quinoxalino[2,3-f][1,10]phenanthroline

C18H10N4 — CID 3081616

IUPACquinoxalino[2,3-f][1,10]phenanthroline
SMILESc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C18H10N4/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h1-10H
InChIKeyBVQAWSJMUYMNQN-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.88
Rot. Bonds

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

quinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 3081616) has the molecular formula C18H10N4 and a molecular weight of 282.31 g/mol. Its IUPAC name is quinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Namequinoxalino[2,3-f][1,10]phenanthroline
PubChem CID3081616
Molecular FormulaC18H10N4
Molecular Weight282.31 g/mol
Exact Mass282.09
IUPAC Namequinoxalino[2,3-f][1,10]phenanthroline
SMILESc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
InChIInChI=1S/C18H10N4/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h1-10H
InChIKeyBVQAWSJMUYMNQN-UHFFFAOYSA-N
XLogP3.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 quinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of quinoxalino[2,3-f][1,10]phenanthroline (CID 3081616) is quinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for quinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for quinoxalino[2,3-f][1,10]phenanthroline is c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.
What is the InChIKey of quinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is BVQAWSJMUYMNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h1-10H.
What are the key properties of quinoxalino[2,3-f][1,10]phenanthroline?
quinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 282.31 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 3081616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).