[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone

C22H23FN2O3 — CID 122470217

IUPAC[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)=C(C(=O)N1CCN(C)CC1)CO2
InChIInChI=1S/C22H23FN2O3/c1-24-9-11-25(12-10-24)22(26)19-14-28-20-8-7-17(27-2)13-18(20)21(19)15-3-5-16(23)6-4-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyBLVXSBHRTFSWAI-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.80
Rot. Bonds3

About [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone

[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 122470217) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID122470217
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(c1)C(c1ccc(F)cc1)=C(C(=O)N1CCN(C)CC1)CO2
InChIInChI=1S/C22H23FN2O3/c1-24-9-11-25(12-10-24)22(26)19-14-28-20-8-7-17(27-2)13-18(20)21(19)15-3-5-16(23)6-4-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyBLVXSBHRTFSWAI-UHFFFAOYSA-N
XLogP2.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 139445464
N-ethyl-4-(4-fluorophenyl)-6-methoxy-2H-chromene-3-carboxamide;[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 178039595
[4-(4-fluorophenyl)-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;[4-(4-fluorophenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 178039044
[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 139445471
N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-6-methoxy-2H-chromene-3-carboxamide;N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine;N-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]ethanamine;1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]-4-methylpiperazine;[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone;1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]piperidine
CID 162243913
1-[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]ethanone;1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]pyrrolidine
CID 157179580
[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methanol
CID 122501736
4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol
CID 86199579
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
N-[[6-(difluoromethoxy)-4-(4-fluorophenyl)-2H-chromen-3-yl]methyl]ethanamine
CID 139445481
(2-fluoro-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55653073
[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 110391856

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 122470217) is [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccc2c(c1)C(c1ccc(F)cc1)=C(C(=O)N1CCN(C)CC1)CO2.
What is the InChIKey of [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BLVXSBHRTFSWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-24-9-11-25(12-10-24)22(26)19-14-28-20-8-7-17(27-2)13-18(20)21(19)15-3-5-16(23)6-4-15/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone?
[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 382.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 122470217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).