[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate

C21H22N2O4 — CID 2363458

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H22N2O4/c1-15-8-10-17(11-9-15)21(26)22-13-20(25)27-14-19(24)23-12-4-6-16-5-2-3-7-18(16)23/h2-3,5,7-11H,4,6,12-14H2,1H3,(H,22,26)
InChIKeyNJSDXBRXMJVKOD-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.25
Rot. Bonds5

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate (PubChem CID 2363458) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
PubChem CID2363458
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C21H22N2O4/c1-15-8-10-17(11-9-15)21(26)22-13-20(25)27-14-19(24)23-12-4-6-16-5-2-3-7-18(16)23/h2-3,5,7-11H,4,6,12-14H2,1H3,(H,22,26)
InChIKeyNJSDXBRXMJVKOD-UHFFFAOYSA-N
XLogP2.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate (CID 2363458) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate?
The InChIKey is NJSDXBRXMJVKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-15-8-10-17(11-9-15)21(26)22-13-20(25)27-14-19(24)23-12-4-6-16-5-2-3-7-18(16)23/h2-3,5,7-11H,4,6,12-14H2,1H3,(H,22,26).
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate has a molecular weight of 366.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 2363458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).