6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine

C21H19Cl3N2 — CID 155814667

IUPAC6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine
SMILESCCN(CC)c1cc(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)c(Cl)cc12
InChIInChI=1S/C21H19Cl3N2/c1-3-26(4-2)21-11-16(10-7-14-5-8-15(22)9-6-14)25-20-13-19(24)18(23)12-17(20)21/h5-13H,3-4H2,1-2H3/b10-7+
InChIKeyUTPQFDJYGRRUKF-JXMROGBWSA-N
MW405.76 g/mol
LogP7.21
Rot. Bonds5

About 6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine

6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine (PubChem CID 155814667) has the molecular formula C21H19Cl3N2 and a molecular weight of 405.76 g/mol. Its IUPAC name is 6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine.

Molecular Properties

Compound Name6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine
PubChem CID155814667
Molecular FormulaC21H19Cl3N2
Molecular Weight405.76 g/mol
Exact Mass404.06
IUPAC Name6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine
SMILESCCN(CC)c1cc(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)c(Cl)cc12
InChIInChI=1S/C21H19Cl3N2/c1-3-26(4-2)21-11-16(10-7-14-5-8-15(22)9-6-14)25-20-13-19(24)18(23)12-17(20)21/h5-13H,3-4H2,1-2H3/b10-7+
InChIKeyUTPQFDJYGRRUKF-JXMROGBWSA-N
XLogP7.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.76
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine?
The IUPAC name of 6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine (CID 155814667) is 6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine.
What is the SMILES notation for 6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine?
The canonical SMILES for 6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine is CCN(CC)c1cc(/C=C/c2ccc(Cl)cc2)nc2cc(Cl)c(Cl)cc12.
What is the InChIKey of 6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine?
The InChIKey is UTPQFDJYGRRUKF-JXMROGBWSA-N. The full InChI is InChI=1S/C21H19Cl3N2/c1-3-26(4-2)21-11-16(10-7-14-5-8-15(22)9-6-14)25-20-13-19(24)18(23)12-17(20)21/h5-13H,3-4H2,1-2H3/b10-7+.
What are the key properties of 6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine?
6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine has a molecular weight of 405.76 g/mol, XLogP of 7.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine is sourced from PubChem (CID 155814667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).