2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline

C17H11Cl2N7 — CID 53317023

IUPAC2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline
SMILES[N-]=[N+]=NCCc1c(N=[N+]=[N-])nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C17H11Cl2N7/c18-10-5-6-15-13(9-10)16(11-3-1-2-4-14(11)19)12(7-8-22-25-20)17(23-15)24-26-21/h1-6,9H,7-8H2
InChIKeyFUWXGIJYJZVZCP-UHFFFAOYSA-N
MW384.23 g/mol
LogP7.00
Rot. Bonds5

About 2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline

2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline (PubChem CID 53317023) has the molecular formula C17H11Cl2N7 and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline.

Molecular Properties

Compound Name2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline
PubChem CID53317023
Molecular FormulaC17H11Cl2N7
Molecular Weight384.23 g/mol
Exact Mass383.05
IUPAC Name2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline
SMILES[N-]=[N+]=NCCc1c(N=[N+]=[N-])nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C17H11Cl2N7/c18-10-5-6-15-13(9-10)16(11-3-1-2-4-14(11)19)12(7-8-22-25-20)17(23-15)24-26-21/h1-6,9H,7-8H2
InChIKeyFUWXGIJYJZVZCP-UHFFFAOYSA-N
XLogP7.00
TPSA110.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.23
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline?
The IUPAC name of 2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline (CID 53317023) is 2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline.
What is the SMILES notation for 2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline?
The canonical SMILES for 2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline is [N-]=[N+]=NCCc1c(N=[N+]=[N-])nc2ccc(Cl)cc2c1-c1ccccc1Cl.
What is the InChIKey of 2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline?
The InChIKey is FUWXGIJYJZVZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N7/c18-10-5-6-15-13(9-10)16(11-3-1-2-4-14(11)19)12(7-8-22-25-20)17(23-15)24-26-21/h1-6,9H,7-8H2.
What are the key properties of 2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline?
2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline has a molecular weight of 384.23 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-(2-azidoethyl)-6-chloro-4-(2-chlorophenyl)quinoline is sourced from PubChem (CID 53317023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).