(6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid

C20H24N4O8S — CID 135441675

IUPAC(6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1c(O)/c(=C\O)c2nc3c(=O)ccc(C(=O)NCCN(C)C)c3[nH]c2c1=O
InChIInChI=1S/C19H20N4O5.CH4O3S/c1-9-17(26)11(8-24)14-16(18(9)27)22-13-10(4-5-12(25)15(13)21-14)19(28)20-6-7-23(2)3;1-5(2,3)4/h4-5,8,22,24,26H,6-7H2,1-3H3,(H,20,28);1H3,(H,2,3,4)/b11-8-;
InChIKeyORCCNZHDFHFYJP-MKFZHGHUSA-N
MW480.50 g/mol
LogP-0.74
Rot. Bonds4

About (6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid

(6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid (PubChem CID 135441675) has the molecular formula C20H24N4O8S and a molecular weight of 480.50 g/mol. Its IUPAC name is (6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid.

Molecular Properties

Compound Name(6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid
PubChem CID135441675
Molecular FormulaC20H24N4O8S
Molecular Weight480.50 g/mol
Exact Mass480.13
IUPAC Name(6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1c(O)/c(=C\O)c2nc3c(=O)ccc(C(=O)NCCN(C)C)c3[nH]c2c1=O
InChIInChI=1S/C19H20N4O5.CH4O3S/c1-9-17(26)11(8-24)14-16(18(9)27)22-13-10(4-5-12(25)15(13)21-14)19(28)20-6-7-23(2)3;1-5(2,3)4/h4-5,8,22,24,26H,6-7H2,1-3H3,(H,20,28);1H3,(H,2,3,4)/b11-8-;
InChIKeyORCCNZHDFHFYJP-MKFZHGHUSA-N
XLogP-0.74
TPSA189.99 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 5-0.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide
CID 135603813
7-hydroxy-6-(hydroxymethylidene)-8-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4,9-dioxo-10H-phenazine-1-carboxamide
CID 135976865
(6E)-N-[3-(dimethylamino)propyl]-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxamide
CID 135583187
N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-2-iodo-4,9-dioxo-10H-phenazine-1-carboxamide
CID 173386261
2-chloro-N-[2-(dimethylamino)ethyl]-3,4-dihydroxybenzamide
CID 142493989
N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide
CID 118730871
N-[2-(dimethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 54380946
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
1-[2-(dimethylamino)ethylamino]-N-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl]-9-oxo-10H-acridine-4-carboxamide
CID 11814469

Frequently Asked Questions

What is the IUPAC name of (6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid?
The IUPAC name of (6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid (CID 135441675) is (6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid.
What is the SMILES notation for (6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid?
The canonical SMILES for (6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid is CS(=O)(=O)O.Cc1c(O)/c(=C\O)c2nc3c(=O)ccc(C(=O)NCCN(C)C)c3[nH]c2c1=O.
What is the InChIKey of (6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid?
The InChIKey is ORCCNZHDFHFYJP-MKFZHGHUSA-N. The full InChI is InChI=1S/C19H20N4O5.CH4O3S/c1-9-17(26)11(8-24)14-16(18(9)27)22-13-10(4-5-12(25)15(13)21-14)19(28)20-6-7-23(2)3;1-5(2,3)4/h4-5,8,22,24,26H,6-7H2,1-3H3,(H,20,28);1H3,(H,2,3,4)/b11-8-;.
What are the key properties of (6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid?
(6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid has a molecular weight of 480.50 g/mol, XLogP of -0.74, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid is sourced from PubChem (CID 135441675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).