(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

C22H19NO5 — CID 51112368

IUPAC(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESCOc1ccc2ccc(OC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2c1
InChIInChI=1S/C22H19NO5/c1-26-17-5-2-14-3-6-19(12-16(14)11-17)28-22(25)13-27-18-7-8-20-15(10-18)4-9-21(24)23-20/h2-3,5-8,10-12H,4,9,13H2,1H3,(H,23,24)
InChIKeyYSGIOIVARKTCQH-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.72
Rot. Bonds5

About (7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (PubChem CID 51112368) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
PubChem CID51112368
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESCOc1ccc2ccc(OC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2c1
InChIInChI=1S/C22H19NO5/c1-26-17-5-2-14-3-6-19(12-16(14)11-17)28-22(25)13-27-18-7-8-20-15(10-18)4-9-21(24)23-20/h2-3,5-8,10-12H,4,9,13H2,1H3,(H,23,24)
InChIKeyYSGIOIVARKTCQH-UHFFFAOYSA-N
XLogP3.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 134050875
methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate
CID 55572616
[4-(4-fluorobenzoyl)phenyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 39976920
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 18271341
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate
CID 7581544
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 18226940
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (CID 51112368) is (7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is COc1ccc2ccc(OC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The InChIKey is YSGIOIVARKTCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-26-17-5-2-14-3-6-19(12-16(14)11-17)28-22(25)13-27-18-7-8-20-15(10-18)4-9-21(24)23-20/h2-3,5-8,10-12H,4,9,13H2,1H3,(H,23,24).
What are the key properties of (7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate has a molecular weight of 377.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is sourced from PubChem (CID 51112368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).