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

C25H19N5OS — CID 108794823

IUPAC3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cccc2sc(NC(=O)CCn3c4ccccc4c4nc5ccccc5nc43)nc12
InChIInChI=1S/C25H19N5OS/c1-15-7-6-12-20-22(15)29-25(32-20)28-21(31)13-14-30-19-11-5-2-8-16(19)23-24(30)27-18-10-4-3-9-17(18)26-23/h2-12H,13-14H2,1H3,(H,28,29,31)
InChIKeyKAOLFOGPRZZKLS-UHFFFAOYSA-N
MW437.53 g/mol
LogP5.68
Rot. Bonds4

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

3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 108794823) has the molecular formula C25H19N5OS and a molecular weight of 437.53 g/mol. Its IUPAC name is 3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID108794823
Molecular FormulaC25H19N5OS
Molecular Weight437.53 g/mol
Exact Mass437.13
IUPAC Name3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cccc2sc(NC(=O)CCn3c4ccccc4c4nc5ccccc5nc43)nc12
InChIInChI=1S/C25H19N5OS/c1-15-7-6-12-20-22(15)29-25(32-20)28-21(31)13-14-30-19-11-5-2-8-16(19)23-24(30)27-18-10-4-3-9-17(18)26-23/h2-12H,13-14H2,1H3,(H,28,29,31)
InChIKeyKAOLFOGPRZZKLS-UHFFFAOYSA-N
XLogP5.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.53
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

prop-2-enyl 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 108794819
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108726768
3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737510
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
CID 108794724
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 18135694
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738829

Frequently Asked Questions

What is the IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide (CID 108794823) is 3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide is Cc1cccc2sc(NC(=O)CCn3c4ccccc4c4nc5ccccc5nc43)nc12.
What is the InChIKey of 3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is KAOLFOGPRZZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5OS/c1-15-7-6-12-20-22(15)29-25(32-20)28-21(31)13-14-30-19-11-5-2-8-16(19)23-24(30)27-18-10-4-3-9-17(18)26-23/h2-12H,13-14H2,1H3,(H,28,29,31).
What are the key properties of 3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide?
3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 437.53 g/mol, XLogP of 5.68, 4 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-(4-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 108794823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).