2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine

C21H21Cl2N3 — CID 21445432

IUPAC2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1c2ccccc2c2c3cc(Cl)ccc3nc(Cl)c21
InChIInChI=1S/C21H21Cl2N3/c1-3-25(4-2)11-12-26-18-8-6-5-7-15(18)19-16-13-14(22)9-10-17(16)24-21(23)20(19)26/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyLEPCYOAFDJGQFT-UHFFFAOYSA-N
MW386.33 g/mol
LogP5.99
Rot. Bonds5

About 2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine

2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine (PubChem CID 21445432) has the molecular formula C21H21Cl2N3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine
PubChem CID21445432
Molecular FormulaC21H21Cl2N3
Molecular Weight386.33 g/mol
Exact Mass385.11
IUPAC Name2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1c2ccccc2c2c3cc(Cl)ccc3nc(Cl)c21
InChIInChI=1S/C21H21Cl2N3/c1-3-25(4-2)11-12-26-18-8-6-5-7-15(18)19-16-13-14(22)9-10-17(16)24-21(23)20(19)26/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyLEPCYOAFDJGQFT-UHFFFAOYSA-N
XLogP5.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine?
The IUPAC name of 2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine (CID 21445432) is 2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine?
The canonical SMILES for 2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine is CCN(CC)CCn1c2ccccc2c2c3cc(Cl)ccc3nc(Cl)c21.
What is the InChIKey of 2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine?
The InChIKey is LEPCYOAFDJGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3/c1-3-25(4-2)11-12-26-18-8-6-5-7-15(18)19-16-13-14(22)9-10-17(16)24-21(23)20(19)26/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine?
2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine has a molecular weight of 386.33 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine is sourced from PubChem (CID 21445432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).