8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine

C32H34Cl2N8 — CID 5248197

IUPAC8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
SMILESClc1ccc2nc(NCCCN3CCN(CCCNc4nc5ccc(Cl)cc5n5cccc45)CC3)c3cccn3c2c1
InChIInChI=1S/C32H34Cl2N8/c33-23-7-9-25-29(21-23)41-15-1-5-27(41)31(37-25)35-11-3-13-39-17-19-40(20-18-39)14-4-12-36-32-28-6-2-16-42(28)30-22-24(34)8-10-26(30)38-32/h1-2,5-10,15-16,21-22H,3-4,11-14,17-20H2,(H,35,37)(H,36,38)
InChIKeyCKUOLWWDHLNWEF-UHFFFAOYSA-N
MW601.59 g/mol
LogP6.52
Rot. Bonds10

About 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine

8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine (PubChem CID 5248197) has the molecular formula C32H34Cl2N8 and a molecular weight of 601.59 g/mol. Its IUPAC name is 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
PubChem CID5248197
Molecular FormulaC32H34Cl2N8
Molecular Weight601.59 g/mol
Exact Mass600.23
IUPAC Name8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
SMILESClc1ccc2nc(NCCCN3CCN(CCCNc4nc5ccc(Cl)cc5n5cccc45)CC3)c3cccn3c2c1
InChIInChI=1S/C32H34Cl2N8/c33-23-7-9-25-29(21-23)41-15-1-5-27(41)31(37-25)35-11-3-13-39-17-19-40(20-18-39)14-4-12-36-32-28-6-2-16-42(28)30-22-24(34)8-10-26(30)38-32/h1-2,5-10,15-16,21-22H,3-4,11-14,17-20H2,(H,35,37)(H,36,38)
InChIKeyCKUOLWWDHLNWEF-UHFFFAOYSA-N
XLogP6.52
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.59
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
The IUPAC name of 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine (CID 5248197) is 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine is Clc1ccc2nc(NCCCN3CCN(CCCNc4nc5ccc(Cl)cc5n5cccc45)CC3)c3cccn3c2c1.
What is the InChIKey of 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
The InChIKey is CKUOLWWDHLNWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34Cl2N8/c33-23-7-9-25-29(21-23)41-15-1-5-27(41)31(37-25)35-11-3-13-39-17-19-40(20-18-39)14-4-12-36-32-28-6-2-16-42(28)30-22-24(34)8-10-26(30)38-32/h1-2,5-10,15-16,21-22H,3-4,11-14,17-20H2,(H,35,37)(H,36,38).
What are the key properties of 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine has a molecular weight of 601.59 g/mol, XLogP of 6.52, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[3-[4-[3-[(8-chloropyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 5248197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).