(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one

C24H24ClN7O — CID 52942649

IUPAC(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
SMILESN[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(-c4cn[nH]c4)cc23)CC1
InChIInChI=1S/C24H24ClN7O/c25-19-4-1-16(2-5-19)11-21(26)24(33)32-9-7-31(8-10-32)23-20-12-17(18-13-29-30-14-18)3-6-22(20)27-15-28-23/h1-6,12-15,21H,7-11,26H2,(H,29,30)/t21-/m1/s1
InChIKeyWAJNJYFWIOTAQN-OAQYLSRUSA-N
MW461.96 g/mol
LogP2.89
Rot. Bonds5

About (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one

(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 52942649) has the molecular formula C24H24ClN7O and a molecular weight of 461.96 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID52942649
Molecular FormulaC24H24ClN7O
Molecular Weight461.96 g/mol
Exact Mass461.17
IUPAC Name(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
SMILESN[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(-c4cn[nH]c4)cc23)CC1
InChIInChI=1S/C24H24ClN7O/c25-19-4-1-16(2-5-19)11-21(26)24(33)32-9-7-31(8-10-32)23-20-12-17(18-13-29-30-14-18)3-6-22(20)27-15-28-23/h1-6,12-15,21H,7-11,26H2,(H,29,30)/t21-/m1/s1
InChIKeyWAJNJYFWIOTAQN-OAQYLSRUSA-N
XLogP2.89
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.96
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one (CID 52942649) is (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one is N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(-c4cn[nH]c4)cc23)CC1.
What is the InChIKey of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is WAJNJYFWIOTAQN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24ClN7O/c25-19-4-1-16(2-5-19)11-21(26)24(33)32-9-7-31(8-10-32)23-20-12-17(18-13-29-30-14-18)3-6-22(20)27-15-28-23/h1-6,12-15,21H,7-11,26H2,(H,29,30)/t21-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 461.96 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-chlorophenyl)-1-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 52942649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).