(2-methylquinolin-8-yl) 2,6-dimethoxybenzoate

C19H17NO4 — CID 742450

IUPAC(2-methylquinolin-8-yl) 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)Oc1cccc2ccc(C)nc12
InChIInChI=1S/C19H17NO4/c1-12-10-11-13-6-4-9-16(18(13)20-12)24-19(21)17-14(22-2)7-5-8-15(17)23-3/h4-11H,1-3H3
InChIKeyLWEMFBNCOKHSGA-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.78
Rot. Bonds4

About (2-methylquinolin-8-yl) 2,6-dimethoxybenzoate

(2-methylquinolin-8-yl) 2,6-dimethoxybenzoate (PubChem CID 742450) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2-methylquinolin-8-yl) 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name(2-methylquinolin-8-yl) 2,6-dimethoxybenzoate
PubChem CID742450
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(2-methylquinolin-8-yl) 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)Oc1cccc2ccc(C)nc12
InChIInChI=1S/C19H17NO4/c1-12-10-11-13-6-4-9-16(18(13)20-12)24-19(21)17-14(22-2)7-5-8-15(17)23-3/h4-11H,1-3H3
InChIKeyLWEMFBNCOKHSGA-UHFFFAOYSA-N
XLogP3.78
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.78
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 (2-methylquinolin-8-yl) 2,6-dimethoxybenzoate?
The IUPAC name of (2-methylquinolin-8-yl) 2,6-dimethoxybenzoate (CID 742450) is (2-methylquinolin-8-yl) 2,6-dimethoxybenzoate.
What is the SMILES notation for (2-methylquinolin-8-yl) 2,6-dimethoxybenzoate?
The canonical SMILES for (2-methylquinolin-8-yl) 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)Oc1cccc2ccc(C)nc12.
What is the InChIKey of (2-methylquinolin-8-yl) 2,6-dimethoxybenzoate?
The InChIKey is LWEMFBNCOKHSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-10-11-13-6-4-9-16(18(13)20-12)24-19(21)17-14(22-2)7-5-8-15(17)23-3/h4-11H,1-3H3.
What are the key properties of (2-methylquinolin-8-yl) 2,6-dimethoxybenzoate?
(2-methylquinolin-8-yl) 2,6-dimethoxybenzoate has a molecular weight of 323.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl) 2,6-dimethoxybenzoate is sourced from PubChem (CID 742450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).