4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one

C19H13N7O2 — CID 135573832

IUPAC4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one
SMILESCn1c(=O)c(/C=N/c2nc3ccccc3n3nnnc23)c(O)c2ccccc21
InChIInChI=1S/C19H13N7O2/c1-25-14-8-4-2-6-11(14)16(27)12(19(25)28)10-20-17-18-22-23-24-26(18)15-9-5-3-7-13(15)21-17/h2-10,27H,1H3/b20-10+
InChIKeyBQKCCZILTIWDHN-KEBDBYFISA-N
MW371.36 g/mol
LogP1.98
Rot. Bonds2

About 4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one

4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one (PubChem CID 135573832) has the molecular formula C19H13N7O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one
PubChem CID135573832
Molecular FormulaC19H13N7O2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC Name4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one
SMILESCn1c(=O)c(/C=N/c2nc3ccccc3n3nnnc23)c(O)c2ccccc21
InChIInChI=1S/C19H13N7O2/c1-25-14-8-4-2-6-11(14)16(27)12(19(25)28)10-20-17-18-22-23-24-26(18)15-9-5-3-7-13(15)21-17/h2-10,27H,1H3/b20-10+
InChIKeyBQKCCZILTIWDHN-KEBDBYFISA-N
XLogP1.98
TPSA110.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one (CID 135573832) is 4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one is Cn1c(=O)c(/C=N/c2nc3ccccc3n3nnnc23)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one?
The InChIKey is BQKCCZILTIWDHN-KEBDBYFISA-N. The full InChI is InChI=1S/C19H13N7O2/c1-25-14-8-4-2-6-11(14)16(27)12(19(25)28)10-20-17-18-22-23-24-26(18)15-9-5-3-7-13(15)21-17/h2-10,27H,1H3/b20-10+.
What are the key properties of 4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one?
4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one has a molecular weight of 371.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-(tetrazolo[1,5-a]quinoxalin-4-yliminomethyl)quinolin-2-one is sourced from PubChem (CID 135573832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).