N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

C30H26N6O2 — CID 122688959

IUPACN-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCOc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2ccc(OC)nc2)cn1
InChIInChI=1S/C30H26N6O2/c1-36-13-10-19-4-5-20(14-26(19)36)24-15-23(16-25-30(24)32-12-11-31-25)35-29(21-6-8-27(37-2)33-17-21)22-7-9-28(38-3)34-18-22/h4-18,29,35H,1-3H3
InChIKeyIZKPUCRMMSYYJB-UHFFFAOYSA-N
MW502.58 g/mol
LogP5.80
Rot. Bonds7

About N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine

N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (PubChem CID 122688959) has the molecular formula C30H26N6O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
PubChem CID122688959
Molecular FormulaC30H26N6O2
Molecular Weight502.58 g/mol
Exact Mass502.21
IUPAC NameN-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
SMILESCOc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2ccc(OC)nc2)cn1
InChIInChI=1S/C30H26N6O2/c1-36-13-10-19-4-5-20(14-26(19)36)24-15-23(16-25-30(24)32-12-11-31-25)35-29(21-6-8-27(37-2)33-17-21)22-7-9-28(38-3)34-18-22/h4-18,29,35H,1-3H3
InChIKeyIZKPUCRMMSYYJB-UHFFFAOYSA-N
XLogP5.80
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-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 N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The IUPAC name of N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine (CID 122688959) is N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine.
What is the SMILES notation for N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The canonical SMILES for N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is COc1ccc(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2ccc(OC)nc2)cn1.
What is the InChIKey of N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
The InChIKey is IZKPUCRMMSYYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O2/c1-36-13-10-19-4-5-20(14-26(19)36)24-15-23(16-25-30(24)32-12-11-31-25)35-29(21-6-8-27(37-2)33-17-21)22-7-9-28(38-3)34-18-22/h4-18,29,35H,1-3H3.
What are the key properties of N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine?
N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine has a molecular weight of 502.58 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(6-methoxy-3-pyridinyl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine is sourced from PubChem (CID 122688959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).