N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride

C26H32ClN5O — CID 127024895

IUPACN,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride
SMILESCN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN4CCCCC4)cccc3nc21.Cl
InChIInChI=1S/C26H31N5O.ClH/c1-30(2)14-9-17-32-29-25-21-12-5-4-11-20(21)24-26(25)27-22-13-8-10-19(23(22)28-24)18-31-15-6-3-7-16-31;/h4-5,8,10-13H,3,6-7,9,14-18H2,1-2H3;1H/b29-25+;
InChIKeyCZUVMKBNASHTIS-DPWCPDSHSA-N
MW466.03 g/mol
LogP4.74
Rot. Bonds7

About N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride

N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride (PubChem CID 127024895) has the molecular formula C26H32ClN5O and a molecular weight of 466.03 g/mol. Its IUPAC name is N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride
PubChem CID127024895
Molecular FormulaC26H32ClN5O
Molecular Weight466.03 g/mol
Exact Mass465.23
IUPAC NameN,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride
SMILESCN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN4CCCCC4)cccc3nc21.Cl
InChIInChI=1S/C26H31N5O.ClH/c1-30(2)14-9-17-32-29-25-21-12-5-4-11-20(21)24-26(25)27-22-13-8-10-19(23(22)28-24)18-31-15-6-3-7-16-31;/h4-5,8,10-13H,3,6-7,9,14-18H2,1-2H3;1H/b29-25+;
InChIKeyCZUVMKBNASHTIS-DPWCPDSHSA-N
XLogP4.74
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.03
LogP ≤ 54.74
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 N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride (CID 127024895) is N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride is CN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN4CCCCC4)cccc3nc21.Cl.
What is the InChIKey of N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride?
The InChIKey is CZUVMKBNASHTIS-DPWCPDSHSA-N. The full InChI is InChI=1S/C26H31N5O.ClH/c1-30(2)14-9-17-32-29-25-21-12-5-4-11-20(21)24-26(25)27-22-13-8-10-19(23(22)28-24)18-31-15-6-3-7-16-31;/h4-5,8,10-13H,3,6-7,9,14-18H2,1-2H3;1H/b29-25+;.
What are the key properties of N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride?
N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride has a molecular weight of 466.03 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(E)-[6-(piperidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride is sourced from PubChem (CID 127024895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).