(2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one

C27H27N5O — CID 52942489

IUPAC(2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
SMILESN[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C27H27N5O/c28-24(18-20-10-12-22(13-11-20)21-6-2-1-3-7-21)27(33)32-16-14-31(15-17-32)26-23-8-4-5-9-25(23)29-19-30-26/h1-13,19,24H,14-18,28H2/t24-/m1/s1
InChIKeyBPEYRVMEDMVKIU-XMMPIXPASA-N
MW437.55 g/mol
LogP3.52
Rot. Bonds5

About (2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one

(2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one (PubChem CID 52942489) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
PubChem CID52942489
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name(2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
SMILESN[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C27H27N5O/c28-24(18-20-10-12-22(13-11-20)21-6-2-1-3-7-21)27(33)32-16-14-31(15-17-32)26-23-8-4-5-9-25(23)29-19-30-26/h1-13,19,24H,14-18,28H2/t24-/m1/s1
InChIKeyBPEYRVMEDMVKIU-XMMPIXPASA-N
XLogP3.52
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one (CID 52942489) is (2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one is N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of (2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one?
The InChIKey is BPEYRVMEDMVKIU-XMMPIXPASA-N. The full InChI is InChI=1S/C27H27N5O/c28-24(18-20-10-12-22(13-11-20)21-6-2-1-3-7-21)27(33)32-16-14-31(15-17-32)26-23-8-4-5-9-25(23)29-19-30-26/h1-13,19,24H,14-18,28H2/t24-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one?
(2R)-2-amino-3-(4-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one has a molecular weight of 437.55 g/mol, XLogP of 3.52, 5 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-phenylphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 52942489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).