9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione

C25H19N5O3 — CID 155690289

IUPAC9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione
SMILESO=C1c2cccnc2C(=O)c2nc3cc(N4CCN(c5ccc(O)cc5)CC4)ccc3nc21
InChIInChI=1S/C25H19N5O3/c31-17-6-3-15(4-7-17)29-10-12-30(13-11-29)16-5-8-19-20(14-16)28-23-22(27-19)24(32)18-2-1-9-26-21(18)25(23)33/h1-9,14,31H,10-13H2
InChIKeyKARNPIRZLGDJOI-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.83
Rot. Bonds2

About 9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione

9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione (PubChem CID 155690289) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione.

Molecular Properties

Compound Name9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione
PubChem CID155690289
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC Name9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione
SMILESO=C1c2cccnc2C(=O)c2nc3cc(N4CCN(c5ccc(O)cc5)CC4)ccc3nc21
InChIInChI=1S/C25H19N5O3/c31-17-6-3-15(4-7-17)29-10-12-30(13-11-29)16-5-8-19-20(14-16)28-23-22(27-19)24(32)18-2-1-9-26-21(18)25(23)33/h1-9,14,31H,10-13H2
InChIKeyKARNPIRZLGDJOI-UHFFFAOYSA-N
XLogP2.83
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 162512367
9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione
CID 155690252
9-pyrrolidin-1-yl-8-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione
CID 157105914
10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 155690294
9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 155690295
9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione
CID 155690281
7-chloro-6-[(4-piperidin-1-ylphenyl)methyl]quinoline-5,8-dione
CID 165021121
7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
CID 171715791
6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione
CID 66574354
4-[4-(furo[3,2-b]pyridin-2-ylmethyl)piperazin-1-yl]phenol
CID 10425439
7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
CID 171715862
4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine
CID 168665169

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione?
The IUPAC name of 9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione (CID 155690289) is 9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione.
What is the SMILES notation for 9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione?
The canonical SMILES for 9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione is O=C1c2cccnc2C(=O)c2nc3cc(N4CCN(c5ccc(O)cc5)CC4)ccc3nc21.
What is the InChIKey of 9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione?
The InChIKey is KARNPIRZLGDJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c31-17-6-3-15(4-7-17)29-10-12-30(13-11-29)16-5-8-19-20(14-16)28-23-22(27-19)24(32)18-2-1-9-26-21(18)25(23)33/h1-9,14,31H,10-13H2.
What are the key properties of 9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione?
9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione has a molecular weight of 437.46 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione is sourced from PubChem (CID 155690289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).