methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate

C23H19NO6 — CID 55572616

IUPACmethyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1OC(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C23H19NO6/c1-28-23(27)18-11-14-4-2-3-5-15(14)12-20(18)30-22(26)13-29-17-7-8-19-16(10-17)6-9-21(25)24-19/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,24,25)
InChIKeyXOEXDNDHIKJUPS-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.50
Rot. Bonds5

About methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate

methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate (PubChem CID 55572616) has the molecular formula C23H19NO6 and a molecular weight of 405.41 g/mol. Its IUPAC name is methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate
PubChem CID55572616
Molecular FormulaC23H19NO6
Molecular Weight405.41 g/mol
Exact Mass405.12
IUPAC Namemethyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1OC(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C23H19NO6/c1-28-23(27)18-11-14-4-2-3-5-15(14)12-20(18)30-22(26)13-29-17-7-8-19-16(10-17)6-9-21(25)24-19/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,24,25)
InChIKeyXOEXDNDHIKJUPS-UHFFFAOYSA-N
XLogP3.50
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 51112368
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
methyl 2,4-difluoro-5-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzoate
CID 47022018
[4-(4-fluorobenzoyl)phenyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 39976920
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-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672954
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55522045
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 24670388
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 18282499

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate?
The IUPAC name of methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate (CID 55572616) is methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate is COC(=O)c1cc2ccccc2cc1OC(=O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate?
The InChIKey is XOEXDNDHIKJUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO6/c1-28-23(27)18-11-14-4-2-3-5-15(14)12-20(18)30-22(26)13-29-17-7-8-19-16(10-17)6-9-21(25)24-19/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,24,25).
What are the key properties of methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate?
methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate has a molecular weight of 405.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate is sourced from PubChem (CID 55572616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).