8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine

C27H25N5O3S — CID 122698090

IUPAC8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(Nc4ccccc4S(=O)(=O)N4CCOCC4)cc4nccnc34)cc21
InChIInChI=1S/C27H25N5O3S/c1-31-11-8-19-6-7-20(16-25(19)31)22-17-21(18-24-27(22)29-10-9-28-24)30-23-4-2-3-5-26(23)36(33,34)32-12-14-35-15-13-32/h2-11,16-18,30H,12-15H2,1H3
InChIKeyBVIMFTCLCYPZMM-UHFFFAOYSA-N
MW499.60 g/mol
LogP4.55
Rot. Bonds5

About 8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine

8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine (PubChem CID 122698090) has the molecular formula C27H25N5O3S and a molecular weight of 499.60 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine
PubChem CID122698090
Molecular FormulaC27H25N5O3S
Molecular Weight499.60 g/mol
Exact Mass499.17
IUPAC Name8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(Nc4ccccc4S(=O)(=O)N4CCOCC4)cc4nccnc34)cc21
InChIInChI=1S/C27H25N5O3S/c1-31-11-8-19-6-7-20(16-25(19)31)22-17-21(18-24-27(22)29-10-9-28-24)30-23-4-2-3-5-26(23)36(33,34)32-12-14-35-15-13-32/h2-11,16-18,30H,12-15H2,1H3
InChIKeyBVIMFTCLCYPZMM-UHFFFAOYSA-N
XLogP4.55
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine (CID 122698090) is 8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine is Cn1ccc2ccc(-c3cc(Nc4ccccc4S(=O)(=O)N4CCOCC4)cc4nccnc34)cc21.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine?
The InChIKey is BVIMFTCLCYPZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3S/c1-31-11-8-19-6-7-20(16-25(19)31)22-17-21(18-24-27(22)29-10-9-28-24)30-23-4-2-3-5-26(23)36(33,34)32-12-14-35-15-13-32/h2-11,16-18,30H,12-15H2,1H3.
What are the key properties of 8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine?
8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine has a molecular weight of 499.60 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-6-yl)-N-(2-morpholin-4-ylsulfonylphenyl)quinoxalin-6-amine is sourced from PubChem (CID 122698090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).