(2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine

C23H25ClN4 — CID 59395905

IUPAC(2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine
SMILESC=C([C@H](N)Cc1ccc(Cl)cc1)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C23H25ClN4/c1-17(21(25)16-18-6-8-19(24)9-7-18)27-12-14-28(15-13-27)23-10-11-26-22-5-3-2-4-20(22)23/h2-11,21H,1,12-16,25H2/t21-/m1/s1
InChIKeyUPEXBHOPFJNNMM-OAQYLSRUSA-N
MW392.93 g/mol
LogP4.09
Rot. Bonds5

About (2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine

(2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine (PubChem CID 59395905) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine
PubChem CID59395905
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC Name(2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine
SMILESC=C([C@H](N)Cc1ccc(Cl)cc1)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C23H25ClN4/c1-17(21(25)16-18-6-8-19(24)9-7-18)27-12-14-28(15-13-27)23-10-11-26-22-5-3-2-4-20(22)23/h2-11,21H,1,12-16,25H2/t21-/m1/s1
InChIKeyUPEXBHOPFJNNMM-OAQYLSRUSA-N
XLogP4.09
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine?
The IUPAC name of (2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine (CID 59395905) is (2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine.
What is the SMILES notation for (2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine?
The canonical SMILES for (2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine is C=C([C@H](N)Cc1ccc(Cl)cc1)N1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of (2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine?
The InChIKey is UPEXBHOPFJNNMM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25ClN4/c1-17(21(25)16-18-6-8-19(24)9-7-18)27-12-14-28(15-13-27)23-10-11-26-22-5-3-2-4-20(22)23/h2-11,21H,1,12-16,25H2/t21-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine?
(2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine has a molecular weight of 392.93 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenyl)-3-(4-quinolin-4-ylpiperazin-1-yl)but-3-en-2-amine is sourced from PubChem (CID 59395905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).