2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline

C13H15N3 — CID 165347376

IUPAC2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline
SMILESCCCN1Cc2nc3ccccc3nc2C1
InChIInChI=1S/C13H15N3/c1-2-7-16-8-12-13(9-16)15-11-6-4-3-5-10(11)14-12/h3-6H,2,7-9H2,1H3
InChIKeyNKLOIQWDQFDVBF-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.36
Rot. Bonds2

About 2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline

2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline (PubChem CID 165347376) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline.

Molecular Properties

Compound Name2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline
PubChem CID165347376
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline
SMILESCCCN1Cc2nc3ccccc3nc2C1
InChIInChI=1S/C13H15N3/c1-2-7-16-8-12-13(9-16)15-11-6-4-3-5-10(11)14-12/h3-6H,2,7-9H2,1H3
InChIKeyNKLOIQWDQFDVBF-UHFFFAOYSA-N
XLogP2.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline?
The IUPAC name of 2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline (CID 165347376) is 2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline.
What is the SMILES notation for 2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline?
The canonical SMILES for 2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline is CCCN1Cc2nc3ccccc3nc2C1.
What is the InChIKey of 2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline?
The InChIKey is NKLOIQWDQFDVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-7-16-8-12-13(9-16)15-11-6-4-3-5-10(11)14-12/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline?
2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline has a molecular weight of 213.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline is sourced from PubChem (CID 165347376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).