3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

C23H23N7O2 — CID 118711236

IUPAC3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESCc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C23H23N7O2/c1-16-18(15-24-27-21-22(31)26-20-10-6-5-9-19(20)25-21)23(29-11-13-32-14-12-29)30(28-16)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3,(H,25,27)(H,26,31)/b24-15+
InChIKeyUCWKAKPLVUTIMU-BUVRLJJBSA-N
MW429.48 g/mol
LogP2.70
Rot. Bonds5

About 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (PubChem CID 118711236) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
PubChem CID118711236
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESCc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C23H23N7O2/c1-16-18(15-24-27-21-22(31)26-20-10-6-5-9-19(20)25-21)23(29-11-13-32-14-12-29)30(28-16)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3,(H,25,27)(H,26,31)/b24-15+
InChIKeyUCWKAKPLVUTIMU-BUVRLJJBSA-N
XLogP2.70
TPSA100.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (CID 118711236) is 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The InChIKey is UCWKAKPLVUTIMU-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-16-18(15-24-27-21-22(31)26-20-10-6-5-9-19(20)25-21)23(29-11-13-32-14-12-29)30(28-16)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3,(H,25,27)(H,26,31)/b24-15+.
What are the key properties of 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one has a molecular weight of 429.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(3-methyl-5-morpholin-4-yl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 118711236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).