3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline

C14H16N2 — CID 598463

IUPAC3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline
SMILESCC(C)C1CCc2nc3ccccc3nc21
InChIInChI=1S/C14H16N2/c1-9(2)10-7-8-13-14(10)16-12-6-4-3-5-11(12)15-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyQKMXPHPRFNVOOE-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.32
Rot. Bonds1

About 3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline

3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline (PubChem CID 598463) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline.

Molecular Properties

Compound Name3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline
PubChem CID598463
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline
SMILESCC(C)C1CCc2nc3ccccc3nc21
InChIInChI=1S/C14H16N2/c1-9(2)10-7-8-13-14(10)16-12-6-4-3-5-11(12)15-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyQKMXPHPRFNVOOE-UHFFFAOYSA-N
XLogP3.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dimethylquinoxaline
CID 16925
Quinoxaline, 2,3,6-trimethyl-
CID 87204
2-Methyl-11H-indeno[1,2-b]quinoxaline
CID 616082
6-Methyl-1,2,3,4-tetrahydrophenazine
CID 2813348
11H-Indeno(1,2-b)quinoxaline
CID 255774
Acenaphtho[1,2-b]quinoxaline
CID 136028
2-Methyl-3-phenylquinoxaline
CID 346903
2,3-Diethylquinoxaline
CID 2804829
2,3-bis[(E)-2-phenylethenyl]quinoxaline
CID 5344341
1,4,11,11-Tetramethyl-1,2,3,4-tetrahydro-1,4-methanophenazine
CID 2951086
Sodium;N-oxidoindeno[1,2-b]quinoxalin-11-imine
CID 72193876
12,15,15-Trimethyl-3lambda~5~,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2,4,6,8,10-pentaen-3-ol
CID 5064165

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline?
The IUPAC name of 3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline (CID 598463) is 3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline.
What is the SMILES notation for 3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline?
The canonical SMILES for 3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline is CC(C)C1CCc2nc3ccccc3nc21.
What is the InChIKey of 3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline?
The InChIKey is QKMXPHPRFNVOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-9(2)10-7-8-13-14(10)16-12-6-4-3-5-11(12)15-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline?
3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline has a molecular weight of 212.30 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline is sourced from PubChem (CID 598463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).