sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide

C19H12N3NaO5 — CID 137191333

IUPACsodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide
SMILESCOc1cc2nc3c(nc2cc1C(=O)O)c(C([NH-])=O)c(O)c1ccccc13.[Na+]
InChIInChI=1S/C19H13N3O5.Na/c1-27-13-7-12-11(6-10(13)19(25)26)22-16-14(18(20)24)17(23)9-5-3-2-4-8(9)15(16)21-12;/h2-7H,1H3,(H4,20,22,23,24,25,26);/q;+1/p-1
InChIKeyBXSWLUTXABDHCK-UHFFFAOYSA-M
MW385.31 g/mol
LogP0.55
Rot. Bonds3

About sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide

sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide (PubChem CID 137191333) has the molecular formula C19H12N3NaO5 and a molecular weight of 385.31 g/mol. Its IUPAC name is sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide.

Molecular Properties

Compound Namesodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide
PubChem CID137191333
Molecular FormulaC19H12N3NaO5
Molecular Weight385.31 g/mol
Exact Mass385.07
IUPAC Namesodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide
SMILESCOc1cc2nc3c(nc2cc1C(=O)O)c(C([NH-])=O)c(O)c1ccccc13.[Na+]
InChIInChI=1S/C19H13N3O5.Na/c1-27-13-7-12-11(6-10(13)19(25)26)22-16-14(18(20)24)17(23)9-5-3-2-4-8(9)15(16)21-12;/h2-7H,1H3,(H4,20,22,23,24,25,26);/q;+1/p-1
InChIKeyBXSWLUTXABDHCK-UHFFFAOYSA-M
XLogP0.55
TPSA133.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Saphenamycin
CID 101563230
SB 212021
CID 135527046
3-(Dimethylamino)-2-[(4-methoxybenzo[a]phenazine-11-carbonyl)amino]propanoic acid
CID 10182690
4,9-Dimethoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10294648
10-Hydroxy-4-methoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 135433064
NC 190
CID 135413513
4,10-Dimethoxy-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10179363
1-Phenazinecarboxylic acid, 6-[1-[(2-hydroxy-6-methylbenzoyl)oxy]ethyl]-
CID 134184
6-[1-(4-Methyl-2-phenylmethoxybenzoyl)oxyethyl]phenazine-1-carboxylic acid
CID 44294350
6-[2-(Dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylic acid
CID 135413514
NC 182
CID 135430345
2-(5,7-Dimethyl-4-oxochromen-3-yl)benzo[g]quinoline-4-carboxylic acid
CID 2726040

Frequently Asked Questions

What is the IUPAC name of sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide?
The IUPAC name of sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide (CID 137191333) is sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide.
What is the SMILES notation for sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide?
The canonical SMILES for sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide is COc1cc2nc3c(nc2cc1C(=O)O)c(C([NH-])=O)c(O)c1ccccc13.[Na+].
What is the InChIKey of sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide?
The InChIKey is BXSWLUTXABDHCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13N3O5.Na/c1-27-13-7-12-11(6-10(13)19(25)26)22-16-14(18(20)24)17(23)9-5-3-2-4-8(9)15(16)21-12;/h2-7H,1H3,(H4,20,22,23,24,25,26);/q;+1/p-1.
What are the key properties of sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide?
sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide has a molecular weight of 385.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (9-carboxy-5-hydroxy-10-methoxybenzo[a]phenazine-6-carbonyl)azanide is sourced from PubChem (CID 137191333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).