2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one

C23H26N2O4 — CID 123601875

IUPAC2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(N4CC(C)NC(C)C4)ccc3o2)cc1OC
InChIInChI=1S/C23H26N2O4/c1-14-12-25(13-15(2)24-14)17-6-8-20-18(10-17)19(26)11-22(29-20)16-5-7-21(27-3)23(9-16)28-4/h5-11,14-15,24H,12-13H2,1-4H3
InChIKeyLJAOAVMRGHTDBL-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.66
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one

2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one (PubChem CID 123601875) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one
PubChem CID123601875
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cc(N4CC(C)NC(C)C4)ccc3o2)cc1OC
InChIInChI=1S/C23H26N2O4/c1-14-12-25(13-15(2)24-14)17-6-8-20-18(10-17)19(26)11-22(29-20)16-5-7-21(27-3)23(9-16)28-4/h5-11,14-15,24H,12-13H2,1-4H3
InChIKeyLJAOAVMRGHTDBL-UHFFFAOYSA-N
XLogP3.66
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]chromen-4-one
CID 71765112
2-(4-methoxy-3-methylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one
CID 71765241
6-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 71765113
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 72705992
6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one
CID 123614687
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772
2-(4-fluoro-3-methoxyphenyl)chromen-4-one
CID 134910411
2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
CID 102579300
6-chloro-2-(4-methoxy-3-prop-2-enoxyphenyl)chromen-4-one
CID 139217452
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one (CID 123601875) is 2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one is COc1ccc(-c2cc(=O)c3cc(N4CC(C)NC(C)C4)ccc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one?
The InChIKey is LJAOAVMRGHTDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14-12-25(13-15(2)24-14)17-6-8-20-18(10-17)19(26)11-22(29-20)16-5-7-21(27-3)23(9-16)28-4/h5-11,14-15,24H,12-13H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one?
2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one has a molecular weight of 394.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one is sourced from PubChem (CID 123601875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).