1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline

C11H13N3 — CID 66980009

IUPAC1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline
SMILESC1=c2ccncc2=C2NCCNC2C1
InChIInChI=1S/C11H13N3/c1-2-10-11(14-6-5-13-10)9-7-12-4-3-8(1)9/h1,3-4,7,10,13-14H,2,5-6H2
InChIKeyXAIDTAFFSUNDNA-UHFFFAOYSA-N
MW187.25 g/mol
LogP-1.06
Rot. Bonds

About 1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline

1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline (PubChem CID 66980009) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline
PubChem CID66980009
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline
SMILESC1=c2ccncc2=C2NCCNC2C1
InChIInChI=1S/C11H13N3/c1-2-10-11(14-6-5-13-10)9-7-12-4-3-8(1)9/h1,3-4,7,10,13-14H,2,5-6H2
InChIKeyXAIDTAFFSUNDNA-UHFFFAOYSA-N
XLogP-1.06
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline?
The IUPAC name of 1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline (CID 66980009) is 1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline?
The canonical SMILES for 1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline is C1=c2ccncc2=C2NCCNC2C1.
What is the InChIKey of 1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline?
The InChIKey is XAIDTAFFSUNDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-10-11(14-6-5-13-10)9-7-12-4-3-8(1)9/h1,3-4,7,10,13-14H,2,5-6H2.
What are the key properties of 1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline?
1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline has a molecular weight of 187.25 g/mol, XLogP of -1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydropyrido[3,4-f]quinoxaline is sourced from PubChem (CID 66980009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).