2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one

C22H21FN4O — CID 71231649

IUPAC2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(CN3CCN(c4cccc(F)c4)CC3)cn2c2ccccc12
InChIInChI=1S/C22H21FN4O/c23-17-4-3-5-18(13-17)26-10-8-25(9-11-26)14-16-12-21-24-22(28)19-6-1-2-7-20(19)27(21)15-16/h1-7,12-13,15H,8-11,14H2,(H,24,28)
InChIKeyMHERQEFZXJGSML-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.24
Rot. Bonds3

About 2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one

2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 71231649) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
PubChem CID71231649
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESO=c1[nH]c2cc(CN3CCN(c4cccc(F)c4)CC3)cn2c2ccccc12
InChIInChI=1S/C22H21FN4O/c23-17-4-3-5-18(13-17)26-10-8-25(9-11-26)14-16-12-21-24-22(28)19-6-1-2-7-20(19)27(21)15-16/h1-7,12-13,15H,8-11,14H2,(H,24,28)
InChIKeyMHERQEFZXJGSML-UHFFFAOYSA-N
XLogP3.24
TPSA43.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71487361
2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231666
2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231674
4-[(4-fluorophenyl)methyl]piperazine-1-carbaldehyde;2-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 144508082
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231715
1-(3-fluorophenyl)-2H-indazol-3-one
CID 122394958
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one
CID 171326837
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135569887
2-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 146444216
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
3-[4-(3-fluorophenyl)piperazin-1-yl]propanoic acid
CID 82119624

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one (CID 71231649) is 2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one is O=c1[nH]c2cc(CN3CCN(c4cccc(F)c4)CC3)cn2c2ccccc12.
What is the InChIKey of 2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is MHERQEFZXJGSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-17-4-3-5-18(13-17)26-10-8-25(9-11-26)14-16-12-21-24-22(28)19-6-1-2-7-20(19)27(21)15-16/h1-7,12-13,15H,8-11,14H2,(H,24,28).
What are the key properties of 2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 376.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 71231649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).