3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide

C28H23N5OS — CID 108737510

IUPAC3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCc1ccccc1-c1nc(CNC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)cs1
InChIInChI=1S/C28H23N5OS/c1-18-8-2-3-9-20(18)28-30-19(17-35-28)16-29-25(34)14-15-33-24-13-7-4-10-21(24)26-27(33)32-23-12-6-5-11-22(23)31-26/h2-13,17H,14-16H2,1H3,(H,29,34)
InChIKeyWQGALVYRPOTZTN-UHFFFAOYSA-N
MW477.59 g/mol
LogP5.88
Rot. Bonds6

About 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide

3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 108737510) has the molecular formula C28H23N5OS and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID108737510
Molecular FormulaC28H23N5OS
Molecular Weight477.59 g/mol
Exact Mass477.16
IUPAC Name3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCc1ccccc1-c1nc(CNC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)cs1
InChIInChI=1S/C28H23N5OS/c1-18-8-2-3-9-20(18)28-30-19(17-35-28)16-29-25(34)14-15-33-24-13-7-4-10-21(24)26-27(33)32-23-12-6-5-11-22(23)31-26/h2-13,17H,14-16H2,1H3,(H,29,34)
InChIKeyWQGALVYRPOTZTN-UHFFFAOYSA-N
XLogP5.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide with MolForge

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Related Compounds

N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108794823
N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794820
3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
CID 108794711
3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 131925245
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
CID 108794724
4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
CID 108737518
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide
CID 108726447
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337

Frequently Asked Questions

What is the IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide (CID 108737510) is 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide is Cc1ccccc1-c1nc(CNC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)cs1.
What is the InChIKey of 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is WQGALVYRPOTZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5OS/c1-18-8-2-3-9-20(18)28-30-19(17-35-28)16-29-25(34)14-15-33-24-13-7-4-10-21(24)26-27(33)32-23-12-6-5-11-22(23)31-26/h2-13,17H,14-16H2,1H3,(H,29,34).
What are the key properties of 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 477.59 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 108737510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).