7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine

C34H40N8O2 — CID 10348442

IUPAC7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
SMILESCOc1ccc2c(c1)nc(NCCCN1CCN(CCCNc3nc4cc(OC)ccc4n4cccc34)CC1)c1cccn12
InChIInChI=1S/C34H40N8O2/c1-43-25-9-11-29-27(23-25)37-33(31-7-3-17-41(29)31)35-13-5-15-39-19-21-40(22-20-39)16-6-14-36-34-32-8-4-18-42(32)30-12-10-26(44-2)24-28(30)38-34/h3-4,7-12,17-18,23-24H,5-6,13-16,19-22H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyQOPYENPJTQQFNN-UHFFFAOYSA-N
MW592.75 g/mol
LogP5.23
Rot. Bonds12

About 7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine

7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine (PubChem CID 10348442) has the molecular formula C34H40N8O2 and a molecular weight of 592.75 g/mol. Its IUPAC name is 7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
PubChem CID10348442
Molecular FormulaC34H40N8O2
Molecular Weight592.75 g/mol
Exact Mass592.33
IUPAC Name7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine
SMILESCOc1ccc2c(c1)nc(NCCCN1CCN(CCCNc3nc4cc(OC)ccc4n4cccc34)CC1)c1cccn12
InChIInChI=1S/C34H40N8O2/c1-43-25-9-11-29-27(23-25)37-33(31-7-3-17-41(29)31)35-13-5-15-39-19-21-40(22-20-39)16-6-14-36-34-32-8-4-18-42(32)30-12-10-26(44-2)24-28(30)38-34/h3-4,7-12,17-18,23-24H,5-6,13-16,19-22H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyQOPYENPJTQQFNN-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 7-methoxy-N-[3-[4-[3-[(7-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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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
The IUPAC name of 7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine (CID 10348442) is 7-methoxy-N-[3-[4-[3-[(7-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 7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for 7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine is COc1ccc2c(c1)nc(NCCCN1CCN(CCCNc3nc4cc(OC)ccc4n4cccc34)CC1)c1cccn12.
What is the InChIKey of 7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
The InChIKey is QOPYENPJTQQFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O2/c1-43-25-9-11-29-27(23-25)37-33(31-7-3-17-41(29)31)35-13-5-15-39-19-21-40(22-20-39)16-6-14-36-34-32-8-4-18-42(32)30-12-10-26(44-2)24-28(30)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 7-methoxy-N-[3-[4-[3-[(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-amine?
7-methoxy-N-[3-[4-[3-[(7-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 7-methoxy-N-[3-[4-[3-[(7-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 10348442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).