5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one

C23H24N2O6 — CID 142727332

IUPAC5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
SMILESCOc1cc2oc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C23H24N2O6/c1-24-7-9-25(10-8-24)23(28)15-6-4-5-14(11-15)17-12-16(26)20-18(31-17)13-19(29-2)22(30-3)21(20)27/h4-6,11-13,27H,7-10H2,1-3H3
InChIKeySSRAMXFRNCEZIF-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.57
Rot. Bonds4

About 5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one

5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one (PubChem CID 142727332) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is 5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
PubChem CID142727332
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
SMILESCOc1cc2oc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C23H24N2O6/c1-24-7-9-25(10-8-24)23(28)15-6-4-5-14(11-15)17-12-16(26)20-18(31-17)13-19(29-2)22(30-3)21(20)27/h4-6,11-13,27H,7-10H2,1-3H3
InChIKeySSRAMXFRNCEZIF-UHFFFAOYSA-N
XLogP2.57
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
5-hydroxy-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one
CID 57398925
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
CID 141463684
(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate
CID 58966182
(2S)-3-methyl-2-[[3-(5,6,7-trimethoxy-4-oxochromen-2-yl)benzoyl]amino]butanoic acid
CID 171716791
2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 71665818
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] 4-benzylpiperazine-1-carboxylate
CID 118728182
[3-(5-chloro-2-methoxyphenyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118774871
[4-(5,6,7-trihydroxy-4-oxochromen-2-yl)phenyl] 4-methylpiperazine-1-carboxylate
CID 122196268

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one?
The IUPAC name of 5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one (CID 142727332) is 5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one.
What is the SMILES notation for 5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one?
The canonical SMILES for 5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one is COc1cc2oc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cc(=O)c2c(O)c1OC.
What is the InChIKey of 5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one?
The InChIKey is SSRAMXFRNCEZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-24-7-9-25(10-8-24)23(28)15-6-4-5-14(11-15)17-12-16(26)20-18(31-17)13-19(29-2)22(30-3)21(20)27/h4-6,11-13,27H,7-10H2,1-3H3.
What are the key properties of 5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one?
5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one has a molecular weight of 424.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one is sourced from PubChem (CID 142727332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).