7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline

C14H13FN2 — CID 177405895

IUPAC7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline
SMILESCC(C)c1nc2cc(F)ccc2n2cccc12
InChIInChI=1S/C14H13FN2/c1-9(2)14-13-4-3-7-17(13)12-6-5-10(15)8-11(12)16-14/h3-9H,1-2H3
InChIKeyNUBFSJXPQLRLOD-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.75
Rot. Bonds1

About 7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline

7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline (PubChem CID 177405895) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline
PubChem CID177405895
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline
SMILESCC(C)c1nc2cc(F)ccc2n2cccc12
InChIInChI=1S/C14H13FN2/c1-9(2)14-13-4-3-7-17(13)12-6-5-10(15)8-11(12)16-14/h3-9H,1-2H3
InChIKeyNUBFSJXPQLRLOD-UHFFFAOYSA-N
XLogP3.75
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-4-propan-2-ylpyrrolo[1,2-a]quinoxaline
CID 177493364
6-fluoro-3-methyl-2-propan-2-ylquinoxaline
CID 90949663
8-fluoro-4-phenylpyrrolo[1,2-a]quinoline
CID 42612456
N-[(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)methyl]pyrazine-2-carboxamide
CID 58138022
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-methyl-1,4-diazepane-1-carboxamide
CID 50805320
(2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one
CID 44574028
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 20876985
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 22581892
5-fluoro-1-methyl-3-propan-2-ylindazole
CID 118489326
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
2-chloro-5-fluoro-1-(2-methylpropyl)benzimidazole
CID 84791133

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline (CID 177405895) is 7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline is CC(C)c1nc2cc(F)ccc2n2cccc12.
What is the InChIKey of 7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline?
The InChIKey is NUBFSJXPQLRLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c1-9(2)14-13-4-3-7-17(13)12-6-5-10(15)8-11(12)16-14/h3-9H,1-2H3.
What are the key properties of 7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline?
7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline has a molecular weight of 228.27 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-propan-2-ylpyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 177405895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).