(4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone

C22H13N5O3 — CID 11315417

IUPAC(4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C22H13N5O3/c28-21(14-10-12-16(13-11-14)27(29)30)19-20-22(24-18-9-5-4-8-17(18)23-20)26(25-19)15-6-2-1-3-7-15/h1-13H
InChIKeyGZHCHSCPHKKOFZ-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.11
Rot. Bonds4

About (4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone

(4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone (PubChem CID 11315417) has the molecular formula C22H13N5O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is (4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone
PubChem CID11315417
Molecular FormulaC22H13N5O3
Molecular Weight395.38 g/mol
Exact Mass395.10
IUPAC Name(4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C22H13N5O3/c28-21(14-10-12-16(13-11-14)27(29)30)19-20-22(24-18-9-5-4-8-17(18)23-20)26(25-19)15-6-2-1-3-7-15/h1-13H
InChIKeyGZHCHSCPHKKOFZ-UHFFFAOYSA-N
XLogP4.11
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

1-[4-benzoyl-5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]ethanone
CID 100975884
carbamodithioic acid;(4-nitrophenyl)-phenylmethanone
CID 174955967
[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-phenylmethanone
CID 10734536
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
sodium 3-(4-nitrobenzoyl)quinoxalin-1-id-2-one
CID 139225952
3-methyl-5-(4-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid
CID 15448847
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
[3-(benzenesulfonyl)-1-(4-nitrophenyl)-5-phenylpyrazol-4-yl]-phenylmethanone
CID 13451840
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
N-(1,4-diphenylpyrazol-5-yl)-4-nitrobenzamide
CID 11523834
(4-nitrophenyl)-(2-phenylquinolin-3-yl)methanone
CID 137346253

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone?
The IUPAC name of (4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone (CID 11315417) is (4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone.
What is the SMILES notation for (4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone?
The canonical SMILES for (4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)c2nc3ccccc3nc12.
What is the InChIKey of (4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone?
The InChIKey is GZHCHSCPHKKOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N5O3/c28-21(14-10-12-16(13-11-14)27(29)30)19-20-22(24-18-9-5-4-8-17(18)23-20)26(25-19)15-6-2-1-3-7-15/h1-13H.
What are the key properties of (4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone?
(4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone has a molecular weight of 395.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)methanone is sourced from PubChem (CID 11315417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).