methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate

C19H19NO4 — CID 2426307

IUPACmethyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H19NO4/c1-23-19(22)15-8-10-16(11-9-15)24-13-18(21)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyJWBAVNXFLLTAIO-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.83
Rot. Bonds4

About methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate

methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate (PubChem CID 2426307) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate
PubChem CID2426307
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H19NO4/c1-23-19(22)15-8-10-16(11-9-15)24-13-18(21)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyJWBAVNXFLLTAIO-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate (CID 2426307) is methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate is COC(=O)c1ccc(OCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate?
The InChIKey is JWBAVNXFLLTAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-19(22)15-8-10-16(11-9-15)24-13-18(21)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12-13H2,1H3.
What are the key properties of methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate?
methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate has a molecular weight of 325.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate is sourced from PubChem (CID 2426307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).