(2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one

C22H23ClN4O — CID 52947056

IUPAC(2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one
SMILESN[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C22H23ClN4O/c23-17-7-5-16(6-8-17)15-19(24)22(28)27-13-11-26(12-14-27)21-9-10-25-20-4-2-1-3-18(20)21/h1-10,19H,11-15,24H2/t19-/m1/s1
InChIKeyOCTVWEVIBKBYAN-LJQANCHMSA-N
MW394.91 g/mol
LogP3.11
Rot. Bonds4

About (2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one

(2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one (PubChem CID 52947056) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one
PubChem CID52947056
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name(2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one
SMILESN[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C22H23ClN4O/c23-17-7-5-16(6-8-17)15-19(24)22(28)27-13-11-26(12-14-27)21-9-10-25-20-4-2-1-3-18(20)21/h1-10,19H,11-15,24H2/t19-/m1/s1
InChIKeyOCTVWEVIBKBYAN-LJQANCHMSA-N
XLogP3.11
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one (CID 52947056) is (2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one is N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of (2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one?
The InChIKey is OCTVWEVIBKBYAN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-17-7-5-16(6-8-17)15-19(24)22(28)27-13-11-26(12-14-27)21-9-10-25-20-4-2-1-3-18(20)21/h1-10,19H,11-15,24H2/t19-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one?
(2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one has a molecular weight of 394.91 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-chlorophenyl)-1-(4-quinolin-4-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 52947056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).