(2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid

C23H19N3O2 — CID 24874371

IUPAC(2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c27-23(28)20(15-16-9-3-1-4-10-16)25-22-18-13-7-8-14-19(18)24-21(26-22)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,27,28)(H,24,25,26)/t20-/m0/s1
InChIKeyZKEGINGNYZLWBY-FQEVSTJZSA-N
MW369.42 g/mol
LogP4.40
Rot. Bonds6

About (2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid

(2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid (PubChem CID 24874371) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
PubChem CID24874371
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name(2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c27-23(28)20(15-16-9-3-1-4-10-16)25-22-18-13-7-8-14-19(18)24-21(26-22)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,27,28)(H,24,25,26)/t20-/m0/s1
InChIKeyZKEGINGNYZLWBY-FQEVSTJZSA-N
XLogP4.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid (CID 24874371) is (2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid is O=C(O)[C@H](Cc1ccccc1)Nc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid?
The InChIKey is ZKEGINGNYZLWBY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(28)20(15-16-9-3-1-4-10-16)25-22-18-13-7-8-14-19(18)24-21(26-22)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,27,28)(H,24,25,26)/t20-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid?
(2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid has a molecular weight of 369.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(2-phenylquinazolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 24874371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).