(5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate

C20H17NO4 — CID 2416154

IUPAC(5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H17NO4/c1-13(22)15-8-10-19(24-2)16(11-15)12-25-20(23)18-9-7-14-5-3-4-6-17(14)21-18/h3-11H,12H2,1-2H3
InChIKeyZDVLWNGDRUIEGR-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.80
Rot. Bonds5

About (5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate

(5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate (PubChem CID 2416154) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate
PubChem CID2416154
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H17NO4/c1-13(22)15-8-10-19(24-2)16(11-15)12-25-20(23)18-9-7-14-5-3-4-6-17(14)21-18/h3-11H,12H2,1-2H3
InChIKeyZDVLWNGDRUIEGR-UHFFFAOYSA-N
XLogP3.80
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate (CID 2416154) is (5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate is COc1ccc(C(C)=O)cc1COC(=O)c1ccc2ccccc2n1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate?
The InChIKey is ZDVLWNGDRUIEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-13(22)15-8-10-19(24-2)16(11-15)12-25-20(23)18-9-7-14-5-3-4-6-17(14)21-18/h3-11H,12H2,1-2H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate?
(5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl quinoline-2-carboxylate is sourced from PubChem (CID 2416154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).