[7-(2-Tert-butoxycarbonylaminoethoxy)-1-benzyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]acetic acid methyl ester

HCID 69978640

Notes Reactions

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Basic information

Standard SMILES: COC(=O)CC1Cc2ccc(OCCNC(=O)OC(C)(C)C)cc2N(Cc2ccccc2)C1=O
InChIKey: BAVYIJGKHKLEKD-UHFFFAOYSA-N
Molecular formula: C26H32N2O6
Average molar mass: 468.5 g/mol
Monoisotopic mass: 468.22603674

Names & identifiers

Preferred name: [7-(2-Tert-butoxycarbonylaminoethoxy)-1-benzyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]acetic acid methyl ester
IUPAC: methyl 2-[1-benzyl-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2-oxo-3,4-dihydroquinolin-3-yl]acetate

Names & synonyms

SCHEMBL7073306BAVYIJGKHKLEKD-UHFFFAOYSA-N[7-(2-tert-butoxycarbonylaminoethoxy)-1-benzyl-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]acetic acid methyl ester

Database identifiers

PubChem CID: 69978640

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 94.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 11
Heavy atoms: 34
Formal charge: 0
Complexity: 700

Related reactions

2 records

New reaction record

HRID 1570020As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2301999As reactantuspto-grants-2002_08

Compound notes

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