N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine

C23H21N5 — CID 52946210

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine
SMILESC/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C23H21N5/c1-16(18-11-13-19(24)14-12-18)27-28-23-22(15-17-7-3-2-4-8-17)25-20-9-5-6-10-21(20)26-23/h2-14H,15,24H2,1H3,(H,26,28)/b27-16+
InChIKeyLFEWWRCELKOMCD-JVWAILMASA-N
MW367.46 g/mol
LogP4.64
Rot. Bonds5

About N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine

N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine (PubChem CID 52946210) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine
PubChem CID52946210
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine
SMILESC/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C23H21N5/c1-16(18-11-13-19(24)14-12-18)27-28-23-22(15-17-7-3-2-4-8-17)25-20-9-5-6-10-21(20)26-23/h2-14H,15,24H2,1H3,(H,26,28)/b27-16+
InChIKeyLFEWWRCELKOMCD-JVWAILMASA-N
XLogP4.64
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine (CID 52946210) is N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine is C/C(=N\Nc1nc2ccccc2nc1Cc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine?
The InChIKey is LFEWWRCELKOMCD-JVWAILMASA-N. The full InChI is InChI=1S/C23H21N5/c1-16(18-11-13-19(24)14-12-18)27-28-23-22(15-17-7-3-2-4-8-17)25-20-9-5-6-10-21(20)26-23/h2-14H,15,24H2,1H3,(H,26,28)/b27-16+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine?
N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine has a molecular weight of 367.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]-3-benzylquinoxalin-2-amine is sourced from PubChem (CID 52946210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).