7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide

C22H24N4O5 — CID 135976865

IUPAC7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide
SMILESCc1c(O)c(=CO)c2nc3c(=O)ccc(C(=O)NCCC4CCCN4C)c3[nH]c2c1=O
InChIInChI=1S/C22H24N4O5/c1-11-20(29)14(10-27)17-19(21(11)30)25-16-13(5-6-15(28)18(16)24-17)22(31)23-8-7-12-4-3-9-26(12)2/h5-6,10,12,25,27,29H,3-4,7-9H2,1-2H3,(H,23,31)
InChIKeyXJOONKHMQAOEQS-UHFFFAOYSA-N
MW424.46 g/mol
LogP0.68
Rot. Bonds4

About 7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide

7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide (PubChem CID 135976865) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide.

Molecular Properties

Compound Name7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide
PubChem CID135976865
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide
SMILESCc1c(O)c(=CO)c2nc3c(=O)ccc(C(=O)NCCC4CCCN4C)c3[nH]c2c1=O
InChIInChI=1S/C22H24N4O5/c1-11-20(29)14(10-27)17-19(21(11)30)25-16-13(5-6-15(28)18(16)24-17)22(31)23-8-7-12-4-3-9-26(12)2/h5-6,10,12,25,27,29H,3-4,7-9H2,1-2H3,(H,23,31)
InChIKeyXJOONKHMQAOEQS-UHFFFAOYSA-N
XLogP0.68
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide?
The IUPAC name of 7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide (CID 135976865) is 7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide.
What is the SMILES notation for 7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide?
The canonical SMILES for 7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide is Cc1c(O)c(=CO)c2nc3c(=O)ccc(C(=O)NCCC4CCCN4C)c3[nH]c2c1=O.
What is the InChIKey of 7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide?
The InChIKey is XJOONKHMQAOEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-11-20(29)14(10-27)17-19(21(11)30)25-16-13(5-6-15(28)18(16)24-17)22(31)23-8-7-12-4-3-9-26(12)2/h5-6,10,12,25,27,29H,3-4,7-9H2,1-2H3,(H,23,31).
What are the key properties of 7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide?
7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide is sourced from PubChem (CID 135976865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).