6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one

C24H22N2O4 — CID 66733658

IUPAC6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one
SMILESO=C1C=CC2=C(C1)Oc1cc(O)ccc1C2c1ccccc1C(=O)N1CCNCC1
InChIInChI=1S/C24H22N2O4/c27-15-5-7-19-21(13-15)30-22-14-16(28)6-8-20(22)23(19)17-3-1-2-4-18(17)24(29)26-11-9-25-10-12-26/h1-8,13,23,25,27H,9-12,14H2
InChIKeyTTZHPBNUYQQDGT-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.74
Rot. Bonds2

About 6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one

6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one (PubChem CID 66733658) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one.

Molecular Properties

Compound Name6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one
PubChem CID66733658
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one
SMILESO=C1C=CC2=C(C1)Oc1cc(O)ccc1C2c1ccccc1C(=O)N1CCNCC1
InChIInChI=1S/C24H22N2O4/c27-15-5-7-19-21(13-15)30-22-14-16(28)6-8-20(22)23(19)17-3-1-2-4-18(17)24(29)26-11-9-25-10-12-26/h1-8,13,23,25,27H,9-12,14H2
InChIKeyTTZHPBNUYQQDGT-UHFFFAOYSA-N
XLogP2.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one?
The IUPAC name of 6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one (CID 66733658) is 6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one.
What is the SMILES notation for 6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one?
The canonical SMILES for 6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one is O=C1C=CC2=C(C1)Oc1cc(O)ccc1C2c1ccccc1C(=O)N1CCNCC1.
What is the InChIKey of 6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one?
The InChIKey is TTZHPBNUYQQDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-15-5-7-19-21(13-15)30-22-14-16(28)6-8-20(22)23(19)17-3-1-2-4-18(17)24(29)26-11-9-25-10-12-26/h1-8,13,23,25,27H,9-12,14H2.
What are the key properties of 6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one?
6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one has a molecular weight of 402.45 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-[2-(piperazine-1-carbonyl)phenyl]-4,9-dihydroxanthen-3-one is sourced from PubChem (CID 66733658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).