4H-pyrrolo[3,4-f]quinoxalin-8-ium

C10H8N3+ — CID 136737976

IUPAC4H-pyrrolo[3,4-f]quinoxalin-8-ium
SMILESc1c[nH]c2ccc3c[nH+]cc3c2n1
InChIInChI=1S/C10H7N3/c1-2-9-10(13-4-3-12-9)8-6-11-5-7(1)8/h1-6,12H/p+1
InChIKeyLBWHTVSNYHYOIX-UHFFFAOYSA-O
MW170.19 g/mol
LogP1.53
Rot. Bonds

About 4H-pyrrolo[3,4-f]quinoxalin-8-ium

4H-pyrrolo[3,4-f]quinoxalin-8-ium (PubChem CID 136737976) has the molecular formula C10H8N3+ and a molecular weight of 170.19 g/mol. Its IUPAC name is 4H-pyrrolo[3,4-f]quinoxalin-8-ium.

Molecular Properties

Compound Name4H-pyrrolo[3,4-f]quinoxalin-8-ium
PubChem CID136737976
Molecular FormulaC10H8N3+
Molecular Weight170.19 g/mol
Exact Mass170.07
IUPAC Name4H-pyrrolo[3,4-f]quinoxalin-8-ium
SMILESc1c[nH]c2ccc3c[nH+]cc3c2n1
InChIInChI=1S/C10H7N3/c1-2-9-10(13-4-3-12-9)8-6-11-5-7(1)8/h1-6,12H/p+1
InChIKeyLBWHTVSNYHYOIX-UHFFFAOYSA-O
XLogP1.53
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Imidazo[4,5-f]quinoline
CID 164569
1H-Pyrrolo[2,3-f]quinoline
CID 135645806
7H-pyrrolo[3,2-f]quinoxaline
CID 135788037
3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-
CID 135530303
Dihydropyrroloisoquinoline
CID 66919674
Cyclopentaquinoxaline
CID 87519722
Tetrahydro 1h pyrido [4,3]indole
CID 129752664
Bis-pyrroloindole
CID 129775186
8H-pyrrolo[3,4-f][1,10]phenanthroline
CID 135415051
Pyrrolo[3,4-f]quinoline
CID 135463236
1H-Imidazo[4,5-f][1,10]phenanthroline
CID 135894299
9H-Pyrrolo[2,3-f]quinoxaline
CID 136219612

Frequently Asked Questions

What is the IUPAC name of 4H-pyrrolo[3,4-f]quinoxalin-8-ium?
The IUPAC name of 4H-pyrrolo[3,4-f]quinoxalin-8-ium (CID 136737976) is 4H-pyrrolo[3,4-f]quinoxalin-8-ium.
What is the SMILES notation for 4H-pyrrolo[3,4-f]quinoxalin-8-ium?
The canonical SMILES for 4H-pyrrolo[3,4-f]quinoxalin-8-ium is c1c[nH]c2ccc3c[nH+]cc3c2n1.
What is the InChIKey of 4H-pyrrolo[3,4-f]quinoxalin-8-ium?
The InChIKey is LBWHTVSNYHYOIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H7N3/c1-2-9-10(13-4-3-12-9)8-6-11-5-7(1)8/h1-6,12H/p+1.
What are the key properties of 4H-pyrrolo[3,4-f]quinoxalin-8-ium?
4H-pyrrolo[3,4-f]quinoxalin-8-ium has a molecular weight of 170.19 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrrolo[3,4-f]quinoxalin-8-ium is sourced from PubChem (CID 136737976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).