(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

C24H19NO5 — CID 16568659

IUPAC(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)COC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc12
InChIInChI=1S/C24H19NO5/c1-28-18-10-9-15-11-17(8-7-16(15)12-18)22-13-20(24(27)30-14-23(26)29-2)19-5-3-4-6-21(19)25-22/h3-13H,14H2,1-2H3
InChIKeyQWUJMHCDRXOJLJ-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.39
Rot. Bonds5

About (2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate (PubChem CID 16568659) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
PubChem CID16568659
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)COC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc12
InChIInChI=1S/C24H19NO5/c1-28-18-10-9-15-11-17(8-7-16(15)12-18)22-13-20(24(27)30-14-23(26)29-2)19-5-3-4-6-21(19)25-22/h3-13H,14H2,1-2H3
InChIKeyQWUJMHCDRXOJLJ-UHFFFAOYSA-N
XLogP4.39
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 4658233
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 2403708
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 2353574
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 23829059
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2458555
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 112818191
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 3264939
[2-(dibenzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23988368
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17261984

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate (CID 16568659) is (2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate is COC(=O)COC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc12.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The InChIKey is QWUJMHCDRXOJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-28-18-10-9-15-11-17(8-7-16(15)12-18)22-13-20(24(27)30-14-23(26)29-2)19-5-3-4-6-21(19)25-22/h3-13H,14H2,1-2H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate has a molecular weight of 401.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 16568659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).