4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide

C24H19N5O2 — CID 108794842

IUPAC4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H19N5O2/c25-23(31)15-9-11-16(12-10-15)26-21(30)13-14-29-20-8-4-1-5-17(20)22-24(29)28-19-7-3-2-6-18(19)27-22/h1-12H,13-14H2,(H2,25,31)(H,26,30)
InChIKeyDRCDAKBUYUFHRN-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.87
Rot. Bonds5

About 4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide

4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide (PubChem CID 108794842) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide.

Molecular Properties

Compound Name4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
PubChem CID108794842
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H19N5O2/c25-23(31)15-9-11-16(12-10-15)26-21(30)13-14-29-20-8-4-1-5-17(20)22-24(29)28-19-7-3-2-6-18(19)27-22/h1-12H,13-14H2,(H2,25,31)(H,26,30)
InChIKeyDRCDAKBUYUFHRN-UHFFFAOYSA-N
XLogP3.87
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
CID 108794763
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730975
3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
CID 108744221
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794860
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
CID 108794724
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
N-(3-formamidopropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794820
ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738829
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769

Frequently Asked Questions

What is the IUPAC name of 4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide?
The IUPAC name of 4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide (CID 108794842) is 4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide.
What is the SMILES notation for 4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide?
The canonical SMILES for 4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide is NC(=O)c1ccc(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)cc1.
What is the InChIKey of 4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide?
The InChIKey is DRCDAKBUYUFHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c25-23(31)15-9-11-16(12-10-15)26-21(30)13-14-29-20-8-4-1-5-17(20)22-24(29)28-19-7-3-2-6-18(19)27-22/h1-12H,13-14H2,(H2,25,31)(H,26,30).
What are the key properties of 4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide?
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide has a molecular weight of 409.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide is sourced from PubChem (CID 108794842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).