2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide

C24H19N5O — CID 122690617

IUPAC2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide
SMILESCn1ccc2ccc(-c3cc(Nc4ccccc4C(N)=O)cc4nccnc34)cc21
InChIInChI=1S/C24H19N5O/c1-29-11-8-15-6-7-16(12-22(15)29)19-13-17(14-21-23(19)27-10-9-26-21)28-20-5-3-2-4-18(20)24(25)30/h2-14,28H,1H3,(H2,25,30)
InChIKeyQAYAIHHUPBUDRC-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.63
Rot. Bonds4

About 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide

2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide (PubChem CID 122690617) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide
PubChem CID122690617
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide
SMILESCn1ccc2ccc(-c3cc(Nc4ccccc4C(N)=O)cc4nccnc34)cc21
InChIInChI=1S/C24H19N5O/c1-29-11-8-15-6-7-16(12-22(15)29)19-13-17(14-21-23(19)27-10-9-26-21)28-20-5-3-2-4-18(20)24(25)30/h2-14,28H,1H3,(H2,25,30)
InChIKeyQAYAIHHUPBUDRC-UHFFFAOYSA-N
XLogP4.63
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine
CID 134463137
methyl 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-4-methylsulfonylbenzoate
CID 122690582
2-(2-aminopyrimidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxylic acid
CID 122690911
8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine
CID 145185389
8-(1-methylindol-6-yl)-N-[(2-methylpyrazol-3-yl)methyl]quinoxalin-6-amine
CID 122688976
N-(1-acetylpiperidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
CID 122690595
8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
CID 122689036
8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
CID 122689287
N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689013
8-(1-methylindol-6-yl)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 122689414
1-[3-[[3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-2H-pyridin-1-yl]methyl]azetidin-1-yl]ethanone
CID 175860526
7-chloro-5-(1-methylindol-6-yl)quinoxaline;1-[(3R)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyrrolidin-1-yl]ethanone
CID 159012532

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide?
The IUPAC name of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide (CID 122690617) is 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide.
What is the SMILES notation for 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide?
The canonical SMILES for 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide is Cn1ccc2ccc(-c3cc(Nc4ccccc4C(N)=O)cc4nccnc34)cc21.
What is the InChIKey of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide?
The InChIKey is QAYAIHHUPBUDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-29-11-8-15-6-7-16(12-22(15)29)19-13-17(14-21-23(19)27-10-9-26-21)28-20-5-3-2-4-18(20)24(25)30/h2-14,28H,1H3,(H2,25,30).
What are the key properties of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide?
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide has a molecular weight of 393.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide is sourced from PubChem (CID 122690617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).