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

C34H38Cl2N8O2 — CID 11331289

IUPAC1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine
SMILESCOc1ccc2c(c1)nc(NCCCN1CCN(CCCNc3nc4cc(OC)ccc4n4c(Cl)ccc34)CC1)c1ccc(Cl)n12
InChIInChI=1S/C34H38Cl2N8O2/c1-45-23-5-7-27-25(21-23)39-33(29-9-11-31(35)43(27)29)37-13-3-15-41-17-19-42(20-18-41)16-4-14-38-34-30-10-12-32(36)44(30)28-8-6-24(46-2)22-26(28)40-34/h5-12,21-22H,3-4,13-20H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyAHBKGEMXVHDMOU-UHFFFAOYSA-N
MW661.64 g/mol
LogP6.53
Rot. Bonds12

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

1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine (PubChem CID 11331289) has the molecular formula C34H38Cl2N8O2 and a molecular weight of 661.64 g/mol. Its IUPAC name is 1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine
PubChem CID11331289
Molecular FormulaC34H38Cl2N8O2
Molecular Weight661.64 g/mol
Exact Mass660.25
IUPAC Name1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine
SMILESCOc1ccc2c(c1)nc(NCCCN1CCN(CCCNc3nc4cc(OC)ccc4n4c(Cl)ccc34)CC1)c1ccc(Cl)n12
InChIInChI=1S/C34H38Cl2N8O2/c1-45-23-5-7-27-25(21-23)39-33(29-9-11-31(35)43(27)29)37-13-3-15-41-17-19-42(20-18-41)16-4-14-38-34-30-10-12-32(36)44(30)28-8-6-24(46-2)22-26(28)40-34/h5-12,21-22H,3-4,13-20H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyAHBKGEMXVHDMOU-UHFFFAOYSA-N
XLogP6.53
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.64
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine?
The IUPAC name of 1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine (CID 11331289) is 1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for 1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for 1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine is COc1ccc2c(c1)nc(NCCCN1CCN(CCCNc3nc4cc(OC)ccc4n4c(Cl)ccc34)CC1)c1ccc(Cl)n12.
What is the InChIKey of 1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine?
The InChIKey is AHBKGEMXVHDMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2N8O2/c1-45-23-5-7-27-25(21-23)39-33(29-9-11-31(35)43(27)29)37-13-3-15-41-17-19-42(20-18-41)16-4-14-38-34-30-10-12-32(36)44(30)28-8-6-24(46-2)22-26(28)40-34/h5-12,21-22H,3-4,13-20H2,1-2H3,(H,37,39)(H,38,40).
What are the key properties of 1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine?
1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine has a molecular weight of 661.64 g/mol, XLogP of 6.53, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[3-[4-[3-[(1-chloro-7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)amino]propyl]piperazin-1-yl]propyl]-7-methoxypyrrolo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 11331289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).