3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol

C14H14N2S — CID 138756919

IUPAC3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol
SMILESSCCCc1nc2ccccc2n2cccc12
InChIInChI=1S/C14H14N2S/c17-10-4-6-12-14-8-3-9-16(14)13-7-2-1-5-11(13)15-12/h1-3,5,7-9,17H,4,6,10H2
InChIKeyIPGSYEAAMHZAGT-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.35
Rot. Bonds3

About 3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol

3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol (PubChem CID 138756919) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol.

Molecular Properties

Compound Name3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol
PubChem CID138756919
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol
SMILESSCCCc1nc2ccccc2n2cccc12
InChIInChI=1S/C14H14N2S/c17-10-4-6-12-14-8-3-9-16(14)13-7-2-1-5-11(13)15-12/h1-3,5,7-9,17H,4,6,10H2
InChIKeyIPGSYEAAMHZAGT-UHFFFAOYSA-N
XLogP3.35
TPSA17.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-ethylpyrrolo[1,2-a]quinoxaline
CID 102458762
1-(4-methoxybutyl)-3-methylimidazo[1,5-a]pyridine
CID 143109237
3-methyl-1-propylimidazo[1,5-a]pyridine
CID 145078679
4-(4-iodophenyl)pyrrolo[1,2-a]quinoxaline
CID 162419329
N-[3-[4-[3-(pyrrolo[1,2-a]quinoxalin-4-ylamino)propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
CID 11478144
4-(1-methoxyethyl)pyrrolo[1,2-a]quinoxaline
CID 15507276
3-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]propan-1-amine
CID 94231471
N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline
CID 132545400
3-amino-3-(4-chlorophenyl)-N-(pyrrolo[1,2-a]quinoxalin-4-ylmethyl)propanamide
CID 58137998
4-(4-methylphenoxy)pyrrolo[1,2-a]quinoxaline
CID 1471608
1-(chloromethyl)-3-methylimidazo[1,5-a]pyridine
CID 112552822
2-pentylpyrimido[1,2-a]benzimidazole
CID 67303420

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol?
The IUPAC name of 3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol (CID 138756919) is 3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol.
What is the SMILES notation for 3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol?
The canonical SMILES for 3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol is SCCCc1nc2ccccc2n2cccc12.
What is the InChIKey of 3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol?
The InChIKey is IPGSYEAAMHZAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c17-10-4-6-12-14-8-3-9-16(14)13-7-2-1-5-11(13)15-12/h1-3,5,7-9,17H,4,6,10H2.
What are the key properties of 3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol?
3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol has a molecular weight of 242.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolo[1,2-a]quinoxalin-4-ylpropane-1-thiol is sourced from PubChem (CID 138756919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).