6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione

C14H16BrN3O2 — CID 10472283

IUPAC6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione
SMILESCCCN1CCc2c(c(Br)cc3[nH]c(=O)c(=O)[nH]c23)C1
InChIInChI=1S/C14H16BrN3O2/c1-2-4-18-5-3-8-9(7-18)10(15)6-11-12(8)17-14(20)13(19)16-11/h6H,2-5,7H2,1H3,(H,16,19)(H,17,20)
InChIKeyAYKHPSMVRLCRKQ-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.75
Rot. Bonds2

About 6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione

6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione (PubChem CID 10472283) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione
PubChem CID10472283
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione
SMILESCCCN1CCc2c(c(Br)cc3[nH]c(=O)c(=O)[nH]c23)C1
InChIInChI=1S/C14H16BrN3O2/c1-2-4-18-5-3-8-9(7-18)10(15)6-11-12(8)17-14(20)13(19)16-11/h6H,2-5,7H2,1H3,(H,16,19)(H,17,20)
InChIKeyAYKHPSMVRLCRKQ-UHFFFAOYSA-N
XLogP1.75
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
The IUPAC name of 6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione (CID 10472283) is 6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione.
What is the SMILES notation for 6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
The canonical SMILES for 6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione is CCCN1CCc2c(c(Br)cc3[nH]c(=O)c(=O)[nH]c23)C1.
What is the InChIKey of 6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
The InChIKey is AYKHPSMVRLCRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-4-18-5-3-8-9(7-18)10(15)6-11-12(8)17-14(20)13(19)16-11/h6H,2-5,7H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione has a molecular weight of 338.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-propyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione is sourced from PubChem (CID 10472283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).