3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride

C23H28ClN5O — CID 127024891

IUPAC3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN(C)C)cccc3nc21.Cl
InChIInChI=1S/C23H27N5O.ClH/c1-27(2)13-8-14-29-26-22-18-11-6-5-10-17(18)21-23(22)24-19-12-7-9-16(15-28(3)4)20(19)25-21;/h5-7,9-12H,8,13-15H2,1-4H3;1H/b26-22+;
InChIKeyBGPRLOKZSVUXFS-LIUXSCBKSA-N
MW425.96 g/mol
LogP3.81
Rot. Bonds7

About 3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride

3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 127024891) has the molecular formula C23H28ClN5O and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID127024891
Molecular FormulaC23H28ClN5O
Molecular Weight425.96 g/mol
Exact Mass425.20
IUPAC Name3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN(C)C)cccc3nc21.Cl
InChIInChI=1S/C23H27N5O.ClH/c1-27(2)13-8-14-29-26-22-18-11-6-5-10-17(18)21-23(22)24-19-12-7-9-16(15-28(3)4)20(19)25-21;/h5-7,9-12H,8,13-15H2,1-4H3;1H/b26-22+;
InChIKeyBGPRLOKZSVUXFS-LIUXSCBKSA-N
XLogP3.81
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride (CID 127024891) is 3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN(C)C)cccc3nc21.Cl.
What is the InChIKey of 3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is BGPRLOKZSVUXFS-LIUXSCBKSA-N. The full InChI is InChI=1S/C23H27N5O.ClH/c1-27(2)13-8-14-29-26-22-18-11-6-5-10-17(18)21-23(22)24-19-12-7-9-16(15-28(3)4)20(19)25-21;/h5-7,9-12H,8,13-15H2,1-4H3;1H/b26-22+;.
What are the key properties of 3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 425.96 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[6-[(dimethylamino)methyl]indeno[1,2-b]quinoxalin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 127024891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).