2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide

C20H23N5O3 — CID 71301448

IUPAC2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide
SMILESCCN1CCN(C)C/C1=N/c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H23N5O3/c1-3-24-12-11-23(2)14-19(24)22-18-10-9-16(25(27)28)13-17(18)20(26)21-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,26)/b22-19-
InChIKeyNPEFAIPQXBJTAS-QOCHGBHMSA-N
MW381.44 g/mol
LogP3.14
Rot. Bonds5

About 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide

2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide (PubChem CID 71301448) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide
PubChem CID71301448
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide
SMILESCCN1CCN(C)C/C1=N/c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H23N5O3/c1-3-24-12-11-23(2)14-19(24)22-18-10-9-16(25(27)28)13-17(18)20(26)21-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,26)/b22-19-
InChIKeyNPEFAIPQXBJTAS-QOCHGBHMSA-N
XLogP3.14
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

Afloqualone
CID 2040
Azd-6703
CID 11373432
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
N(1),N(4)-Bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-2-(hydroxy(oxido)amino)terephthalamide
CID 165308
2-Methyl-3-(4-nitrophenyl)quinazolin-4-one
CID 63708
2-nitro-6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-one
CID 4259167
3-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 5343305
3-(2-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-6-nitroquinazolin-4-one
CID 15993299
2-[(4-ethylpiperazin-1-yl)methyl]-3-(2-fluorophenyl)-6-nitroquinazolin-4(3H)-one
CID 15997213
6-Aminomethaqualone
CID 63358
4(3H)-Quinazolinone, 2-((4-methyl-1-piperazinyl)methyl)-
CID 135481900
2-Methyl-6-nitro-3H-quinazolin-4-one
CID 135408800

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide?
The IUPAC name of 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide (CID 71301448) is 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide.
What is the SMILES notation for 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide?
The canonical SMILES for 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide is CCN1CCN(C)C/C1=N/c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide?
The InChIKey is NPEFAIPQXBJTAS-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-24-12-11-23(2)14-19(24)22-18-10-9-16(25(27)28)13-17(18)20(26)21-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,26)/b22-19-.
What are the key properties of 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide?
2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide has a molecular weight of 381.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-4-methylpiperazin-2-ylidene)amino]-5-nitro-N-phenylbenzamide is sourced from PubChem (CID 71301448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).