3-phenyl-2-(quinazolin-4-ylamino)propanoate

C17H14N3O2- — CID 3679551

IUPAC3-phenyl-2-(quinazolin-4-ylamino)propanoate
SMILESO=C([O-])C(Cc1ccccc1)Nc1ncnc2ccccc12
InChIInChI=1S/C17H15N3O2/c21-17(22)15(10-12-6-2-1-3-7-12)20-16-13-8-4-5-9-14(13)18-11-19-16/h1-9,11,15H,10H2,(H,21,22)(H,18,19,20)/p-1
InChIKeyLTKPIKDYYKMLDA-UHFFFAOYSA-M
MW292.32 g/mol
LogP1.40
Rot. Bonds5

About 3-phenyl-2-(quinazolin-4-ylamino)propanoate

3-phenyl-2-(quinazolin-4-ylamino)propanoate (PubChem CID 3679551) has the molecular formula C17H14N3O2- and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-phenyl-2-(quinazolin-4-ylamino)propanoate.

Molecular Properties

Compound Name3-phenyl-2-(quinazolin-4-ylamino)propanoate
PubChem CID3679551
Molecular FormulaC17H14N3O2-
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name3-phenyl-2-(quinazolin-4-ylamino)propanoate
SMILESO=C([O-])C(Cc1ccccc1)Nc1ncnc2ccccc12
InChIInChI=1S/C17H15N3O2/c21-17(22)15(10-12-6-2-1-3-7-12)20-16-13-8-4-5-9-14(13)18-11-19-16/h1-9,11,15H,10H2,(H,21,22)(H,18,19,20)/p-1
InChIKeyLTKPIKDYYKMLDA-UHFFFAOYSA-M
XLogP1.40
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
3-hydroxy-2-(quinazolin-4-ylamino)propanoic acid
CID 2789318
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
CID 6949779
N-(1,2-diphenylethyl)quinazolin-4-amine
CID 67604516
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
CID 55075952
(2S,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6928136
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
2-amino-1-phenyl-7-(quinazolin-4-ylamino)heptan-4-one
CID 158822658
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate
CID 6926985
(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid
CID 7723199

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(quinazolin-4-ylamino)propanoate?
The IUPAC name of 3-phenyl-2-(quinazolin-4-ylamino)propanoate (CID 3679551) is 3-phenyl-2-(quinazolin-4-ylamino)propanoate.
What is the SMILES notation for 3-phenyl-2-(quinazolin-4-ylamino)propanoate?
The canonical SMILES for 3-phenyl-2-(quinazolin-4-ylamino)propanoate is O=C([O-])C(Cc1ccccc1)Nc1ncnc2ccccc12.
What is the InChIKey of 3-phenyl-2-(quinazolin-4-ylamino)propanoate?
The InChIKey is LTKPIKDYYKMLDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15N3O2/c21-17(22)15(10-12-6-2-1-3-7-12)20-16-13-8-4-5-9-14(13)18-11-19-16/h1-9,11,15H,10H2,(H,21,22)(H,18,19,20)/p-1.
What are the key properties of 3-phenyl-2-(quinazolin-4-ylamino)propanoate?
3-phenyl-2-(quinazolin-4-ylamino)propanoate has a molecular weight of 292.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(quinazolin-4-ylamino)propanoate is sourced from PubChem (CID 3679551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).