methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C25H28N2O6 — CID 11282396

IUPACmethyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(Cc1ccc2nc(Oc3ccccc3OC)ccc2c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C25H28N2O6/c1-25(2,3)33-24(29)27-19(23(28)31-5)15-16-10-12-18-17(14-16)11-13-22(26-18)32-21-9-7-6-8-20(21)30-4/h6-14,19H,15H2,1-5H3,(H,27,29)
InChIKeyASWLVMCZWVTRBW-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.64
Rot. Bonds7

About methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 11282396) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID11282396
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Namemethyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(Cc1ccc2nc(Oc3ccccc3OC)ccc2c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C25H28N2O6/c1-25(2,3)33-24(29)27-19(23(28)31-5)15-16-10-12-18-17(14-16)11-13-22(26-18)32-21-9-7-6-8-20(21)30-4/h6-14,19H,15H2,1-5H3,(H,27,29)
InChIKeyASWLVMCZWVTRBW-UHFFFAOYSA-N
XLogP4.64
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate with MolForge

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Related Compounds

methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-phenoxyquinolin-6-yl)propanoate
CID 129369183
(2R)-3-[2-(2,6-dimethoxyphenyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 68592486
3-[2-(4-chlorophenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 69119510
methyl 3-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22571735
methyl (2S)-3-[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10342355
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4-phenoxyphenoxy)phenyl]propanoate
CID 86618207
methyl (2S)-3-(4-benzylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146163358
chloromethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986413
chloromethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986414
tert-butyl 5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indazole-1-carboxylate
CID 166810327
methyl (2S)-3-(6-methoxypyridazin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 166810317
(2S)-3-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10829890

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 11282396) is methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)C(Cc1ccc2nc(Oc3ccccc3OC)ccc2c1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is ASWLVMCZWVTRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-25(2,3)33-24(29)27-19(23(28)31-5)15-16-10-12-18-17(14-16)11-13-22(26-18)32-21-9-7-6-8-20(21)30-4/h6-14,19H,15H2,1-5H3,(H,27,29).
What are the key properties of methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 452.51 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-methoxyphenoxy)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 11282396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).