methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate

C19H16N2O3 — CID 705126

IUPACmethyl 2-(4-acetamidophenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccccc12
InChIInChI=1S/C19H16N2O3/c1-12(22)20-14-9-7-13(8-10-14)18-11-16(19(23)24-2)15-5-3-4-6-17(15)21-18/h3-11H,1-2H3,(H,20,22)
InChIKeyVAALSUBKGWORHC-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.65
Rot. Bonds3

About methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate

methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate (PubChem CID 705126) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-acetamidophenyl)quinoline-4-carboxylate
PubChem CID705126
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Namemethyl 2-(4-acetamidophenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccccc12
InChIInChI=1S/C19H16N2O3/c1-12(22)20-14-9-7-13(8-10-14)18-11-16(19(23)24-2)15-5-3-4-6-17(15)21-18/h3-11H,1-2H3,(H,20,22)
InChIKeyVAALSUBKGWORHC-UHFFFAOYSA-N
XLogP3.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate?
The IUPAC name of methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate (CID 705126) is methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccccc12.
What is the InChIKey of methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate?
The InChIKey is VAALSUBKGWORHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12(22)20-14-9-7-13(8-10-14)18-11-16(19(23)24-2)15-5-3-4-6-17(15)21-18/h3-11H,1-2H3,(H,20,22).
What are the key properties of methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate?
methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetamidophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 705126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).