6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline

C23H23FN4O — CID 67626256

IUPAC6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline
SMILESCOc1ccn2c1cnc1c(N3CCN(Cc4ccc(F)cc4)CC3)cccc12
InChIInChI=1S/C23H23FN4O/c1-29-22-9-10-28-20-4-2-3-19(23(20)25-15-21(22)28)27-13-11-26(12-14-27)16-17-5-7-18(24)8-6-17/h2-10,15H,11-14,16H2,1H3
InChIKeyQOQYKJLQFIRVGI-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.96
Rot. Bonds4

About 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline

6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline (PubChem CID 67626256) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline
PubChem CID67626256
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline
SMILESCOc1ccn2c1cnc1c(N3CCN(Cc4ccc(F)cc4)CC3)cccc12
InChIInChI=1S/C23H23FN4O/c1-29-22-9-10-28-20-4-2-3-19(23(20)25-15-21(22)28)27-13-11-26(12-14-27)16-17-5-7-18(24)8-6-17/h2-10,15H,11-14,16H2,1H3
InChIKeyQOQYKJLQFIRVGI-UHFFFAOYSA-N
XLogP3.96
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 67625625
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1126262
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46043442
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850815
2-[(1-benzylpiperidin-4-yl)methyl]-1-[(4-fluorophenyl)methyl]-4-methoxybenzimidazole
CID 70492080
2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231666

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline?
The IUPAC name of 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline (CID 67626256) is 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline is COc1ccn2c1cnc1c(N3CCN(Cc4ccc(F)cc4)CC3)cccc12.
What is the InChIKey of 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline?
The InChIKey is QOQYKJLQFIRVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-29-22-9-10-28-20-4-2-3-19(23(20)25-15-21(22)28)27-13-11-26(12-14-27)16-17-5-7-18(24)8-6-17/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline?
6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline has a molecular weight of 390.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 67626256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).