methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate

C19H18N2O3 — CID 24755552

IUPACmethyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate
SMILESCOC(=O)C(N)Cc1ccc2nc(Oc3ccccc3)ccc2c1
InChIInChI=1S/C19H18N2O3/c1-23-19(22)16(20)12-13-7-9-17-14(11-13)8-10-18(21-17)24-15-5-3-2-4-6-15/h2-11,16H,12,20H2,1H3
InChIKeyRARAOODWVODFGU-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.07
Rot. Bonds5

About methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate

methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate (PubChem CID 24755552) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate
PubChem CID24755552
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate
SMILESCOC(=O)C(N)Cc1ccc2nc(Oc3ccccc3)ccc2c1
InChIInChI=1S/C19H18N2O3/c1-23-19(22)16(20)12-13-7-9-17-14(11-13)8-10-18(21-17)24-15-5-3-2-4-6-15/h2-11,16H,12,20H2,1H3
InChIKeyRARAOODWVODFGU-UHFFFAOYSA-N
XLogP3.07
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 54768230
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
2-amino-3-(2-phenylquinolin-6-yl)propanoic acid
CID 90896454
methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11282396
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride
CID 69119079
methyl (2S)-2-amino-3-(3-propan-2-yloxyphenyl)propanoate
CID 171238413
2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
CID 22763650
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
benzaldehyde;methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate
CID 175247547

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate (CID 24755552) is methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate is COC(=O)C(N)Cc1ccc2nc(Oc3ccccc3)ccc2c1.
What is the InChIKey of methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate?
The InChIKey is RARAOODWVODFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-19(22)16(20)12-13-7-9-17-14(11-13)8-10-18(21-17)24-15-5-3-2-4-6-15/h2-11,16H,12,20H2,1H3.
What are the key properties of methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate?
methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate has a molecular weight of 322.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate is sourced from PubChem (CID 24755552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).