4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline

C18H12N4 — CID 130321266

IUPAC4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESC1=CC2c3nc4ccccc4nc3-c3cccnc3C2N=C1
InChIInChI=1S/C18H12N4/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/h1-11,15H
InChIKeyULXPPABBDXVDQS-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.47
Rot. Bonds

About 4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline

4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 130321266) has the molecular formula C18H12N4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline
PubChem CID130321266
Molecular FormulaC18H12N4
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESC1=CC2c3nc4ccccc4nc3-c3cccnc3C2N=C1
InChIInChI=1S/C18H12N4/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/h1-11,15H
InChIKeyULXPPABBDXVDQS-UHFFFAOYSA-N
XLogP3.47
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of 4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline (CID 130321266) is 4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline is C1=CC2c3nc4ccccc4nc3-c3cccnc3C2N=C1.
What is the InChIKey of 4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is ULXPPABBDXVDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4/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/h1-11,15H.
What are the key properties of 4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline?
4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 284.32 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,14b-dihydroquinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 130321266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).