1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine

C24H28ClN3 — CID 86273339

IUPAC1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(c2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C24H28ClN3/c1-3-27(4-2)20-12-14-28(15-13-20)24-17-22(18-8-6-5-7-9-18)26-23-16-19(25)10-11-21(23)24/h5-11,16-17,20H,3-4,12-15H2,1-2H3
InChIKeyVLAPVLGHQDANLU-UHFFFAOYSA-N
MW393.96 g/mol
LogP5.87
Rot. Bonds5

About 1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine

1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine (PubChem CID 86273339) has the molecular formula C24H28ClN3 and a molecular weight of 393.96 g/mol. Its IUPAC name is 1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine
PubChem CID86273339
Molecular FormulaC24H28ClN3
Molecular Weight393.96 g/mol
Exact Mass393.20
IUPAC Name1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(c2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C24H28ClN3/c1-3-27(4-2)20-12-14-28(15-13-20)24-17-22(18-8-6-5-7-9-18)26-23-16-19(25)10-11-21(23)24/h5-11,16-17,20H,3-4,12-15H2,1-2H3
InChIKeyVLAPVLGHQDANLU-UHFFFAOYSA-N
XLogP5.87
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine?
The IUPAC name of 1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine (CID 86273339) is 1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine.
What is the SMILES notation for 1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine?
The canonical SMILES for 1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine is CCN(CC)C1CCN(c2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine?
The InChIKey is VLAPVLGHQDANLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3/c1-3-27(4-2)20-12-14-28(15-13-20)24-17-22(18-8-6-5-7-9-18)26-23-16-19(25)10-11-21(23)24/h5-11,16-17,20H,3-4,12-15H2,1-2H3.
What are the key properties of 1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine?
1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine has a molecular weight of 393.96 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine is sourced from PubChem (CID 86273339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).