10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione

C20H16ClN5O2 — CID 155690294

IUPAC10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
SMILESCN1CCN(c2ccc3nc4c(nc3c2Cl)C(=O)c2ncccc2C4=O)CC1
InChIInChI=1S/C20H16ClN5O2/c1-25-7-9-26(10-8-25)13-5-4-12-16(14(13)21)24-18-17(23-12)19(27)11-3-2-6-22-15(11)20(18)28/h2-6H,7-10H2,1H3
InChIKeyAOYVMLUARRJWNE-UHFFFAOYSA-N
MW393.83 g/mol
LogP2.21
Rot. Bonds1

About 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione

10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione (PubChem CID 155690294) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione.

Molecular Properties

Compound Name10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
PubChem CID155690294
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
SMILESCN1CCN(c2ccc3nc4c(nc3c2Cl)C(=O)c2ncccc2C4=O)CC1
InChIInChI=1S/C20H16ClN5O2/c1-25-7-9-26(10-8-25)13-5-4-12-16(14(13)21)24-18-17(23-12)19(27)11-3-2-6-22-15(11)20(18)28/h2-6H,7-10H2,1H3
InChIKeyAOYVMLUARRJWNE-UHFFFAOYSA-N
XLogP2.21
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione with MolForge

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Related Compounds

9-(4-methylpiperazin-1-yl)-10-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione
CID 155690281
9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 162512367
7-chloro-6-[[2,3,6-trifluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]quinoline-5,8-dione
CID 165046397
9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione
CID 155690289
9-pyrrolidin-1-yl-8-(trifluoromethyl)pyrido[3,2-b]phenazine-5,12-dione
CID 157105914
9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione
CID 155690252
9-(1,3-thiazol-2-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 155690295
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
CID 171715791
6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione
CID 22461848
4,7-phenanthroline-5,6-dione
CID 6764
9,11-dimethylpyrido[2,3-b]acridine-5,12-dione
CID 10946126

Frequently Asked Questions

What is the IUPAC name of 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione?
The IUPAC name of 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione (CID 155690294) is 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione.
What is the SMILES notation for 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione?
The canonical SMILES for 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione is CN1CCN(c2ccc3nc4c(nc3c2Cl)C(=O)c2ncccc2C4=O)CC1.
What is the InChIKey of 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione?
The InChIKey is AOYVMLUARRJWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-25-7-9-26(10-8-25)13-5-4-12-16(14(13)21)24-18-17(23-12)19(27)11-3-2-6-22-15(11)20(18)28/h2-6H,7-10H2,1H3.
What are the key properties of 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione?
10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione has a molecular weight of 393.83 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-9-(4-methylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione is sourced from PubChem (CID 155690294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).