(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one

C22H24ClN5O — CID 52947459

IUPAC(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1cccc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C22H24ClN5O/c1-15-3-2-4-19-20(15)21(26-14-25-19)27-9-11-28(12-10-27)22(29)18(24)13-16-5-7-17(23)8-6-16/h2-8,14,18H,9-13,24H2,1H3/t18-/m1/s1
InChIKeyAXPMISUVMIROHN-GOSISDBHSA-N
MW409.92 g/mol
LogP2.81
Rot. Bonds4

About (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one

(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 52947459) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID52947459
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1cccc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C22H24ClN5O/c1-15-3-2-4-19-20(15)21(26-14-25-19)27-9-11-28(12-10-27)22(29)18(24)13-16-5-7-17(23)8-6-16/h2-8,14,18H,9-13,24H2,1H3/t18-/m1/s1
InChIKeyAXPMISUVMIROHN-GOSISDBHSA-N
XLogP2.81
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one (CID 52947459) is (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one is Cc1cccc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is AXPMISUVMIROHN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-15-3-2-4-19-20(15)21(26-14-25-19)27-9-11-28(12-10-27)22(29)18(24)13-16-5-7-17(23)8-6-16/h2-8,14,18H,9-13,24H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 409.92 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 52947459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).