(E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine

C19H17N3O — CID 155562678

IUPAC(E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine
SMILESCC(C)CO/N=C1\c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C19H17N3O/c1-12(2)11-23-22-18-14-8-4-3-7-13(14)17-19(18)21-16-10-6-5-9-15(16)20-17/h3-10,12H,11H2,1-2H3/b22-18+
InChIKeyJOQJGMUUHGFGDK-RELWKKBWSA-N
MW303.37 g/mol
LogP4.04
Rot. Bonds3

About (E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine

(E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine (PubChem CID 155562678) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine.

Molecular Properties

Compound Name(E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine
PubChem CID155562678
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine
SMILESCC(C)CO/N=C1\c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C19H17N3O/c1-12(2)11-23-22-18-14-8-4-3-7-13(14)17-19(18)21-16-10-6-5-9-15(16)20-17/h3-10,12H,11H2,1-2H3/b22-18+
InChIKeyJOQJGMUUHGFGDK-RELWKKBWSA-N
XLogP4.04
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-11H-indeno[1,2-b]quinoxaline
CID 616082
11H-Indeno(1,2-b)quinoxaline
CID 255774
Acenaphtho[1,2-b]quinoxaline
CID 136028
9-Methylacenaphtho(1,2-B)-quinoxaline
CID 294570
3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride
CID 127024891
N,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride
CID 127024893
N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride
CID 127024895
N,N-dimethyl-3-[(E)-[6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride
CID 127024899
(E)-N-(2-pyrrolidin-1-ylethoxy)-6-[(E)-2-pyrrolidin-1-ylethoxyiminomethyl]indeno[1,2-b]quinoxalin-11-imine;hydrochloride
CID 127028976
2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyethanol
CID 155548073
ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate
CID 155561957
Sodium;N-oxidoindeno[1,2-b]quinoxalin-11-imine
CID 72193876

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine?
The IUPAC name of (E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine (CID 155562678) is (E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine.
What is the SMILES notation for (E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine?
The canonical SMILES for (E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine is CC(C)CO/N=C1\c2ccccc2-c2nc3ccccc3nc21.
What is the InChIKey of (E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine?
The InChIKey is JOQJGMUUHGFGDK-RELWKKBWSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12(2)11-23-22-18-14-8-4-3-7-13(14)17-19(18)21-16-10-6-5-9-15(16)20-17/h3-10,12H,11H2,1-2H3/b22-18+.
What are the key properties of (E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine?
(E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine has a molecular weight of 303.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropoxy)indeno[1,2-b]quinoxalin-11-imine is sourced from PubChem (CID 155562678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).