N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine

C17H16ClN5 — CID 89326931

IUPACN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine
SMILESC/C(=N\N(C)c1cnc2ccccc2n1)c1cc(Cl)ccc1N
InChIInChI=1S/C17H16ClN5/c1-11(13-9-12(18)7-8-14(13)19)22-23(2)17-10-20-15-5-3-4-6-16(15)21-17/h3-10H,19H2,1-2H3/b22-11+
InChIKeyAAOORRFKOYEZSG-SSDVNMTOSA-N
MW325.80 g/mol
LogP3.73
Rot. Bonds3

About N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine

N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine (PubChem CID 89326931) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine
PubChem CID89326931
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC NameN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine
SMILESC/C(=N\N(C)c1cnc2ccccc2n1)c1cc(Cl)ccc1N
InChIInChI=1S/C17H16ClN5/c1-11(13-9-12(18)7-8-14(13)19)22-23(2)17-10-20-15-5-3-4-6-16(15)21-17/h3-10H,19H2,1-2H3/b22-11+
InChIKeyAAOORRFKOYEZSG-SSDVNMTOSA-N
XLogP3.73
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine?
The IUPAC name of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine (CID 89326931) is N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine.
What is the SMILES notation for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine?
The canonical SMILES for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine is C/C(=N\N(C)c1cnc2ccccc2n1)c1cc(Cl)ccc1N.
What is the InChIKey of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine?
The InChIKey is AAOORRFKOYEZSG-SSDVNMTOSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-11(13-9-12(18)7-8-14(13)19)22-23(2)17-10-20-15-5-3-4-6-16(15)21-17/h3-10H,19H2,1-2H3/b22-11+.
What are the key properties of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine?
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine has a molecular weight of 325.80 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine is sourced from PubChem (CID 89326931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).