ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate

C20H19NO3 — CID 167643901

IUPACethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate
SMILESCCOC(=O)c1cccc(Oc2ccnc3cc(C)ccc23)c1C
InChIInChI=1S/C20H19NO3/c1-4-23-20(22)15-6-5-7-18(14(15)3)24-19-10-11-21-17-12-13(2)8-9-16(17)19/h5-12H,4H2,1-3H3
InChIKeyPOHQKNRGSJAPFJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.82
Rot. Bonds4

About ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate

ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate (PubChem CID 167643901) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate
PubChem CID167643901
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate
SMILESCCOC(=O)c1cccc(Oc2ccnc3cc(C)ccc23)c1C
InChIInChI=1S/C20H19NO3/c1-4-23-20(22)15-6-5-7-18(14(15)3)24-19-10-11-21-17-12-13(2)8-9-16(17)19/h5-12H,4H2,1-3H3
InChIKeyPOHQKNRGSJAPFJ-UHFFFAOYSA-N
XLogP4.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate?
The IUPAC name of ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate (CID 167643901) is ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate.
What is the SMILES notation for ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate?
The canonical SMILES for ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate is CCOC(=O)c1cccc(Oc2ccnc3cc(C)ccc23)c1C.
What is the InChIKey of ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate?
The InChIKey is POHQKNRGSJAPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-4-23-20(22)15-6-5-7-18(14(15)3)24-19-10-11-21-17-12-13(2)8-9-16(17)19/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate?
ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate has a molecular weight of 321.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate is sourced from PubChem (CID 167643901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).