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

C25H30ClN5O — CID 127024893

IUPACN,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride
SMILESCN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN4CCCC4)cccc3nc21.Cl
InChIInChI=1S/C25H29N5O.ClH/c1-29(2)13-8-16-31-28-24-20-11-4-3-10-19(20)23-25(24)26-21-12-7-9-18(22(21)27-23)17-30-14-5-6-15-30;/h3-4,7,9-12H,5-6,8,13-17H2,1-2H3;1H/b28-24+;
InChIKeyJFHQPRAWTQLMKZ-YTGAECEWSA-N
MW452.00 g/mol
LogP4.35
Rot. Bonds7

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

N,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride (PubChem CID 127024893) has the molecular formula C25H30ClN5O and a molecular weight of 452.00 g/mol. Its IUPAC name is N,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride
PubChem CID127024893
Molecular FormulaC25H30ClN5O
Molecular Weight452.00 g/mol
Exact Mass451.21
IUPAC NameN,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride
SMILESCN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN4CCCC4)cccc3nc21.Cl
InChIInChI=1S/C25H29N5O.ClH/c1-29(2)13-8-16-31-28-24-20-11-4-3-10-19(20)23-25(24)26-21-12-7-9-18(22(21)27-23)17-30-14-5-6-15-30;/h3-4,7,9-12H,5-6,8,13-17H2,1-2H3;1H/b28-24+;
InChIKeyJFHQPRAWTQLMKZ-YTGAECEWSA-N
XLogP4.35
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 54.35
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-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride (CID 127024893) is N,N-dimethyl-3-[(E)-[6-(pyrrolidin-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-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride is CN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN4CCCC4)cccc3nc21.Cl.
What is the InChIKey of N,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride?
The InChIKey is JFHQPRAWTQLMKZ-YTGAECEWSA-N. The full InChI is InChI=1S/C25H29N5O.ClH/c1-29(2)13-8-16-31-28-24-20-11-4-3-10-19(20)23-25(24)26-21-12-7-9-18(22(21)27-23)17-30-14-5-6-15-30;/h3-4,7,9-12H,5-6,8,13-17H2,1-2H3;1H/b28-24+;.
What are the key properties of N,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride?
N,N-dimethyl-3-[(E)-[6-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride has a molecular weight of 452.00 g/mol, XLogP of 4.35, 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-(pyrrolidin-1-ylmethyl)indeno[1,2-b]quinoxalin-11-ylidene]amino]oxypropan-1-amine;hydrochloride is sourced from PubChem (CID 127024893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).