N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide

C17H13Cl2N3 — CID 68545730

IUPACN'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide
SMILESC/C(N)=N\c1ccc2ccc(-c3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C17H13Cl2N3/c1-10(20)21-13-5-2-11-4-7-16(22-17(11)9-13)12-3-6-14(18)15(19)8-12/h2-9H,1H3,(H2,20,21)
InChIKeyNYJQAEXYZFKAAZ-UHFFFAOYSA-N
MW330.22 g/mol
LogP5.22
Rot. Bonds2

About N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide

N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide (PubChem CID 68545730) has the molecular formula C17H13Cl2N3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide
PubChem CID68545730
Molecular FormulaC17H13Cl2N3
Molecular Weight330.22 g/mol
Exact Mass329.05
IUPAC NameN'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide
SMILESC/C(N)=N\c1ccc2ccc(-c3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C17H13Cl2N3/c1-10(20)21-13-5-2-11-4-7-16(22-17(11)9-13)12-3-6-14(18)15(19)8-12/h2-9H,1H3,(H2,20,21)
InChIKeyNYJQAEXYZFKAAZ-UHFFFAOYSA-N
XLogP5.22
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.22
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide 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 N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide?
The IUPAC name of N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide (CID 68545730) is N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide.
What is the SMILES notation for N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide?
The canonical SMILES for N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide is C/C(N)=N\c1ccc2ccc(-c3ccc(Cl)c(Cl)c3)nc2c1.
What is the InChIKey of N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide?
The InChIKey is NYJQAEXYZFKAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3/c1-10(20)21-13-5-2-11-4-7-16(22-17(11)9-13)12-3-6-14(18)15(19)8-12/h2-9H,1H3,(H2,20,21).
What are the key properties of N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide?
N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide has a molecular weight of 330.22 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dichlorophenyl)quinolin-7-yl]ethanimidamide is sourced from PubChem (CID 68545730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).