[(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate

C19H18N2O3 — CID 176874481

IUPAC[(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate
SMILESN[C@@H](COOC(=O)c1ccnc2ccccc12)Cc1ccccc1
InChIInChI=1S/C19H18N2O3/c20-15(12-14-6-2-1-3-7-14)13-23-24-19(22)17-10-11-21-18-9-5-4-8-16(17)18/h1-11,15H,12-13,20H2/t15-/m1/s1
InChIKeyOLLCOKRQTXRGFM-OAHLLOKOSA-N
MW322.36 g/mol
LogP2.89
Rot. Bonds6

About [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate

[(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate (PubChem CID 176874481) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate.

Molecular Properties

Compound Name[(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate
PubChem CID176874481
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate
SMILESN[C@@H](COOC(=O)c1ccnc2ccccc12)Cc1ccccc1
InChIInChI=1S/C19H18N2O3/c20-15(12-14-6-2-1-3-7-14)13-23-24-19(22)17-10-11-21-18-9-5-4-8-16(17)18/h1-11,15H,12-13,20H2/t15-/m1/s1
InChIKeyOLLCOKRQTXRGFM-OAHLLOKOSA-N
XLogP2.89
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536
(2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid
CID 142645779
N-(2-amino-4-methylpentyl)quinoline-4-carboxamide
CID 107158826
2-pyridin-3-ylethyl quinoline-4-carboxylate
CID 127257423
2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
2-ethenoxyethyl quinoline-4-carboxylate
CID 75521590
(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
CID 90046746
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
4-(2-amino-3-benzylperoxypropyl)phenol
CID 89111499
(2-amino-3-phenylpropyl) 2-methylbenzoate
CID 162385429
3-[(2R)-2-amino-3-phenylpropoxy]isoquinoline-4-carboxylic acid
CID 174173041

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate?
The IUPAC name of [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate (CID 176874481) is [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate.
What is the SMILES notation for [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate?
The canonical SMILES for [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate is N[C@@H](COOC(=O)c1ccnc2ccccc12)Cc1ccccc1.
What is the InChIKey of [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate?
The InChIKey is OLLCOKRQTXRGFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N2O3/c20-15(12-14-6-2-1-3-7-14)13-23-24-19(22)17-10-11-21-18-9-5-4-8-16(17)18/h1-11,15H,12-13,20H2/t15-/m1/s1.
What are the key properties of [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate?
[(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate has a molecular weight of 322.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-phenylpropyl] quinoline-4-carboperoxoate is sourced from PubChem (CID 176874481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).