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

C23H23FN4O2 — CID 71231666

IUPAC2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCOc1cc(F)ccc1N1CCN(Cc2cc3[nH]c(=O)c4ccccc4n3c2)CC1
InChIInChI=1S/C23H23FN4O2/c1-30-21-13-17(24)6-7-20(21)27-10-8-26(9-11-27)14-16-12-22-25-23(29)18-4-2-3-5-19(18)28(22)15-16/h2-7,12-13,15H,8-11,14H2,1H3,(H,25,29)
InChIKeyNHZSSJJWFWKTFI-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.25
Rot. Bonds4

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

2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 71231666) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
PubChem CID71231666
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCOc1cc(F)ccc1N1CCN(Cc2cc3[nH]c(=O)c4ccccc4n3c2)CC1
InChIInChI=1S/C23H23FN4O2/c1-30-21-13-17(24)6-7-20(21)27-10-8-26(9-11-27)14-16-12-22-25-23(29)18-4-2-3-5-19(18)28(22)15-16/h2-7,12-13,15H,8-11,14H2,1H3,(H,25,29)
InChIKeyNHZSSJJWFWKTFI-UHFFFAOYSA-N
XLogP3.25
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231689
2-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231649
2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71487361
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-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
4-(4-benzylpiperazin-1-yl)-3-methoxyaniline
CID 129452213
2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 10692180
4-[[4-(4-fluoro-2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809761
1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 166207818
1-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 70207167
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one (CID 71231666) is 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one is COc1cc(F)ccc1N1CCN(Cc2cc3[nH]c(=O)c4ccccc4n3c2)CC1.
What is the InChIKey of 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is NHZSSJJWFWKTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-30-21-13-17(24)6-7-20(21)27-10-8-26(9-11-27)14-16-12-22-25-23(29)18-4-2-3-5-19(18)28(22)15-16/h2-7,12-13,15H,8-11,14H2,1H3,(H,25,29).
What are the key properties of 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 406.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 71231666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).