N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

C23H16ClN5O3 — CID 108806301

IUPACN-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C23H16ClN5O3/c24-14-9-10-18(20(13-14)29(31)32)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/h1-10,13H,11-12H2,(H,25,30)
InChIKeyCRQFMRQCMAYREY-UHFFFAOYSA-N
MW445.87 g/mol
LogP5.33
Rot. Bonds5

About N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (PubChem CID 108806301) has the molecular formula C23H16ClN5O3 and a molecular weight of 445.87 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
PubChem CID108806301
Molecular FormulaC23H16ClN5O3
Molecular Weight445.87 g/mol
Exact Mass445.09
IUPAC NameN-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESO=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C23H16ClN5O3/c24-14-9-10-18(20(13-14)29(31)32)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/h1-10,13H,11-12H2,(H,25,30)
InChIKeyCRQFMRQCMAYREY-UHFFFAOYSA-N
XLogP5.33
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.87
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
CID 108794763
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-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84553097
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
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-(4-chloro-2-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 7693080
3-(4-bromo-3-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
CID 19561988
3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730975

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (CID 108806301) is N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is O=C(CCn1c2ccccc2c2nc3ccccc3nc21)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The InChIKey is CRQFMRQCMAYREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O3/c24-14-9-10-18(20(13-14)29(31)32)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/h1-10,13H,11-12H2,(H,25,30).
What are the key properties of N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide has a molecular weight of 445.87 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is sourced from PubChem (CID 108806301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).