ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate

C20H19NO4 — CID 10042684

IUPACethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1
InChIInChI=1S/C20H19NO4/c1-4-25-20(22)14-7-5-13(6-8-14)16-9-15-10-18(23-2)19(24-3)11-17(15)21-12-16/h5-12H,4H2,1-3H3
InChIKeyNYQMIRPEALZGTO-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.10
Rot. Bonds5

About ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate

ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate (PubChem CID 10042684) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
PubChem CID10042684
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Nameethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1
InChIInChI=1S/C20H19NO4/c1-4-25-20(22)14-7-5-13(6-8-14)16-9-15-10-18(23-2)19(24-3)11-17(15)21-12-16/h5-12H,4H2,1-3H3
InChIKeyNYQMIRPEALZGTO-UHFFFAOYSA-N
XLogP4.10
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate?
The IUPAC name of ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate (CID 10042684) is ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate?
The canonical SMILES for ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate is CCOC(=O)c1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1.
What is the InChIKey of ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate?
The InChIKey is NYQMIRPEALZGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-4-25-20(22)14-7-5-13(6-8-14)16-9-15-10-18(23-2)19(24-3)11-17(15)21-12-16/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate?
ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate has a molecular weight of 337.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate is sourced from PubChem (CID 10042684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).