quinolin-8-yl 3,4-dimethoxybenzoate

C18H15NO4 — CID 752919

IUPACquinolin-8-yl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccc3cccnc23)cc1OC
InChIInChI=1S/C18H15NO4/c1-21-14-9-8-13(11-16(14)22-2)18(20)23-15-7-3-5-12-6-4-10-19-17(12)15/h3-11H,1-2H3
InChIKeyOUHARPFRCLDZCC-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.47
Rot. Bonds4

About quinolin-8-yl 3,4-dimethoxybenzoate

quinolin-8-yl 3,4-dimethoxybenzoate (PubChem CID 752919) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is quinolin-8-yl 3,4-dimethoxybenzoate.

Molecular Properties

Compound Namequinolin-8-yl 3,4-dimethoxybenzoate
PubChem CID752919
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namequinolin-8-yl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccc3cccnc23)cc1OC
InChIInChI=1S/C18H15NO4/c1-21-14-9-8-13(11-16(14)22-2)18(20)23-15-7-3-5-12-6-4-10-19-17(12)15/h3-11H,1-2H3
InChIKeyOUHARPFRCLDZCC-UHFFFAOYSA-N
XLogP3.47
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 3,4-dimethoxybenzoate?
The IUPAC name of quinolin-8-yl 3,4-dimethoxybenzoate (CID 752919) is quinolin-8-yl 3,4-dimethoxybenzoate.
What is the SMILES notation for quinolin-8-yl 3,4-dimethoxybenzoate?
The canonical SMILES for quinolin-8-yl 3,4-dimethoxybenzoate is COc1ccc(C(=O)Oc2cccc3cccnc23)cc1OC.
What is the InChIKey of quinolin-8-yl 3,4-dimethoxybenzoate?
The InChIKey is OUHARPFRCLDZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-21-14-9-8-13(11-16(14)22-2)18(20)23-15-7-3-5-12-6-4-10-19-17(12)15/h3-11H,1-2H3.
What are the key properties of quinolin-8-yl 3,4-dimethoxybenzoate?
quinolin-8-yl 3,4-dimethoxybenzoate has a molecular weight of 309.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 3,4-dimethoxybenzoate is sourced from PubChem (CID 752919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).