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

C34H40N8O2 — CID 11478868

IUPAC8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
SMILESCOc1ccc2nc(NCCCN3CCN(CCCNc4nc5ccc(OC)cc5n5cccc45)CC3)c3cccn3c2c1
InChIInChI=1S/C34H40N8O2/c1-43-25-9-11-27-31(23-25)41-17-3-7-29(41)33(37-27)35-13-5-15-39-19-21-40(22-20-39)16-6-14-36-34-30-8-4-18-42(30)32-24-26(44-2)10-12-28(32)38-34/h3-4,7-12,17-18,23-24H,5-6,13-16,19-22H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyJNPDLSUWEDLIQO-UHFFFAOYSA-N
MW592.75 g/mol
LogP5.23
Rot. Bonds12

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

8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine (PubChem CID 11478868) has the molecular formula C34H40N8O2 and a molecular weight of 592.75 g/mol. Its IUPAC name is 8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
PubChem CID11478868
Molecular FormulaC34H40N8O2
Molecular Weight592.75 g/mol
Exact Mass592.33
IUPAC Name8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
SMILESCOc1ccc2nc(NCCCN3CCN(CCCNc4nc5ccc(OC)cc5n5cccc45)CC3)c3cccn3c2c1
InChIInChI=1S/C34H40N8O2/c1-43-25-9-11-27-31(23-25)41-17-3-7-29(41)33(37-27)35-13-5-15-39-19-21-40(22-20-39)16-6-14-36-34-30-8-4-18-42(30)32-24-26(44-2)10-12-28(32)38-34/h3-4,7-12,17-18,23-24H,5-6,13-16,19-22H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyJNPDLSUWEDLIQO-UHFFFAOYSA-N
XLogP5.23
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[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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Related Compounds

N-[3-[4-[3-(pyrrolo[1,2-a]quinoxalin-4-ylamino)propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
CID 11478144
6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine
CID 78901405
CID 53304855
CID 53304855
7-methoxy-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 19978049
2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-4-amine
CID 121453138
2-(12-bromo-7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 45100475
6-chloro-2-methoxy-N-(4-piperazin-1-ylbutyl)acridin-9-amine
CID 44531431
7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 19978066
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749480
3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazol-5-amine
CID 20952697
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
The IUPAC name of 8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine (CID 11478868) is 8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[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-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for 8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine is COc1ccc2nc(NCCCN3CCN(CCCNc4nc5ccc(OC)cc5n5cccc45)CC3)c3cccn3c2c1.
What is the InChIKey of 8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
The InChIKey is JNPDLSUWEDLIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O2/c1-43-25-9-11-27-31(23-25)41-17-3-7-29(41)33(37-27)35-13-5-15-39-19-21-40(22-20-39)16-6-14-36-34-30-8-4-18-42(30)32-24-26(44-2)10-12-28(32)38-34/h3-4,7-12,17-18,23-24H,5-6,13-16,19-22H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine has a molecular weight of 592.75 g/mol, XLogP of 5.23, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[3-[4-[3-[(8-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 11478868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).