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

C19H20N4O5 — CID 135603813

IUPAC(6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide
SMILESCc1c(O)/c(=C/O)c2nc3c(=O)ccc(C(=O)NCCN(C)C)c3[nH]c2c1=O
InChIInChI=1S/C19H20N4O5/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/h4-5,8,22,24,26H,6-7H2,1-3H3,(H,20,28)/b11-8+
InChIKeyBPJNUCGMDKQLIA-DHZHZOJOSA-N
MW384.39 g/mol
LogP-0.24
Rot. Bonds4

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

(6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide (PubChem CID 135603813) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is (6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide.

Molecular Properties

Compound Name(6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide
PubChem CID135603813
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name(6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide
SMILESCc1c(O)/c(=C/O)c2nc3c(=O)ccc(C(=O)NCCN(C)C)c3[nH]c2c1=O
InChIInChI=1S/C19H20N4O5/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/h4-5,8,22,24,26H,6-7H2,1-3H3,(H,20,28)/b11-8+
InChIKeyBPJNUCGMDKQLIA-DHZHZOJOSA-N
XLogP-0.24
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 5-0.24
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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Related Compounds

(6Z)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide;methanesulfonic acid
CID 135441675
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
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
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
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide
CID 171383887

Frequently Asked Questions

What is the IUPAC name of (6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide?
The IUPAC name of (6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide (CID 135603813) is (6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide.
What is the SMILES notation for (6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide?
The canonical SMILES for (6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide is Cc1c(O)/c(=C/O)c2nc3c(=O)ccc(C(=O)NCCN(C)C)c3[nH]c2c1=O.
What is the InChIKey of (6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide?
The InChIKey is BPJNUCGMDKQLIA-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H20N4O5/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/h4-5,8,22,24,26H,6-7H2,1-3H3,(H,20,28)/b11-8+.
What are the key properties of (6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide?
(6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide has a molecular weight of 384.39 g/mol, XLogP of -0.24, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-N-[2-(dimethylamino)ethyl]-7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxamide is sourced from PubChem (CID 135603813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).