3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid

C24H18N4O4 — CID 108744221

IUPAC3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C24H18N4O4/c29-20-13-14(24(31)32)9-10-18(20)25-21(30)11-12-28-19-8-4-1-5-15(19)22-23(28)27-17-7-3-2-6-16(17)26-22/h1-10,13,29H,11-12H2,(H,25,30)(H,31,32)
InChIKeyFFMQJNJHOBMGRO-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.17
Rot. Bonds5

About 3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid

3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid (PubChem CID 108744221) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
PubChem CID108744221
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C24H18N4O4/c29-20-13-14(24(31)32)9-10-18(20)25-21(30)11-12-28-19-8-4-1-5-15(19)22-23(28)27-17-7-3-2-6-16(17)26-22/h1-10,13,29H,11-12H2,(H,25,30)(H,31,32)
InChIKeyFFMQJNJHOBMGRO-UHFFFAOYSA-N
XLogP4.17
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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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
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806301
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
CID 108806279
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
CID 108794724
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
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
3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730975
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid?
The IUPAC name of 3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid (CID 108744221) is 3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid?
The canonical SMILES for 3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid is O=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid?
The InChIKey is FFMQJNJHOBMGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c29-20-13-14(24(31)32)9-10-18(20)25-21(30)11-12-28-19-8-4-1-5-15(19)22-23(28)27-17-7-3-2-6-16(17)26-22/h1-10,13,29H,11-12H2,(H,25,30)(H,31,32).
What are the key properties of 3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid?
3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid has a molecular weight of 426.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 108744221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).