3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid

C19H14N4O3S — CID 118343546

IUPAC3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid
SMILESCc1ccc2nc3cc4c(c(S(=O)(=O)O)c3nc2c1)Nc1ccccc1N4
InChIInChI=1S/C19H14N4O3S/c1-10-6-7-13-14(8-10)23-18-16(21-13)9-15-17(19(18)27(24,25)26)22-12-5-3-2-4-11(12)20-15/h2-9,20,22H,1H3,(H,24,25,26)
InChIKeyDQPOFXKDDWYUPE-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.14
Rot. Bonds1

About 3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid

3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid (PubChem CID 118343546) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid.

Molecular Properties

Compound Name3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid
PubChem CID118343546
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid
SMILESCc1ccc2nc3cc4c(c(S(=O)(=O)O)c3nc2c1)Nc1ccccc1N4
InChIInChI=1S/C19H14N4O3S/c1-10-6-7-13-14(8-10)23-18-16(21-13)9-15-17(19(18)27(24,25)26)22-12-5-3-2-4-11(12)20-15/h2-9,20,22H,1H3,(H,24,25,26)
InChIKeyDQPOFXKDDWYUPE-UHFFFAOYSA-N
XLogP4.14
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid?
The IUPAC name of 3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid (CID 118343546) is 3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid.
What is the SMILES notation for 3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid?
The canonical SMILES for 3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid is Cc1ccc2nc3cc4c(c(S(=O)(=O)O)c3nc2c1)Nc1ccccc1N4.
What is the InChIKey of 3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid?
The InChIKey is DQPOFXKDDWYUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-10-6-7-13-14(8-10)23-18-16(21-13)9-15-17(19(18)27(24,25)26)22-12-5-3-2-4-11(12)20-15/h2-9,20,22H,1H3,(H,24,25,26).
What are the key properties of 3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid?
3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid has a molecular weight of 378.41 g/mol, XLogP of 4.14, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7,12-dihydroquinoxalino[2,3-b]phenazine-6-sulfonic acid is sourced from PubChem (CID 118343546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).