ethyl 2-isoquinolin-7-yl-6-methylbenzoate

C19H17NO2 — CID 23597517

IUPACethyl 2-isoquinolin-7-yl-6-methylbenzoate
SMILESCCOC(=O)c1c(C)cccc1-c1ccc2ccncc2c1
InChIInChI=1S/C19H17NO2/c1-3-22-19(21)18-13(2)5-4-6-17(18)15-8-7-14-9-10-20-12-16(14)11-15/h4-12H,3H2,1-2H3
InChIKeyRMKIQIZVSWCKPR-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.39
Rot. Bonds3

About ethyl 2-isoquinolin-7-yl-6-methylbenzoate

ethyl 2-isoquinolin-7-yl-6-methylbenzoate (PubChem CID 23597517) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-isoquinolin-7-yl-6-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-isoquinolin-7-yl-6-methylbenzoate
PubChem CID23597517
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Nameethyl 2-isoquinolin-7-yl-6-methylbenzoate
SMILESCCOC(=O)c1c(C)cccc1-c1ccc2ccncc2c1
InChIInChI=1S/C19H17NO2/c1-3-22-19(21)18-13(2)5-4-6-17(18)15-8-7-14-9-10-20-12-16(14)11-15/h4-12H,3H2,1-2H3
InChIKeyRMKIQIZVSWCKPR-UHFFFAOYSA-N
XLogP4.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-isoquinolin-7-yl-6-methylbenzoate?
The IUPAC name of ethyl 2-isoquinolin-7-yl-6-methylbenzoate (CID 23597517) is ethyl 2-isoquinolin-7-yl-6-methylbenzoate.
What is the SMILES notation for ethyl 2-isoquinolin-7-yl-6-methylbenzoate?
The canonical SMILES for ethyl 2-isoquinolin-7-yl-6-methylbenzoate is CCOC(=O)c1c(C)cccc1-c1ccc2ccncc2c1.
What is the InChIKey of ethyl 2-isoquinolin-7-yl-6-methylbenzoate?
The InChIKey is RMKIQIZVSWCKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-3-22-19(21)18-13(2)5-4-6-17(18)15-8-7-14-9-10-20-12-16(14)11-15/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-isoquinolin-7-yl-6-methylbenzoate?
ethyl 2-isoquinolin-7-yl-6-methylbenzoate has a molecular weight of 291.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-isoquinolin-7-yl-6-methylbenzoate is sourced from PubChem (CID 23597517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).