methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate

C23H18FN3O2 — CID 154967897

IUPACmethyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3nccc(C)c3c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C23H18FN3O2/c1-13-9-10-26-20-8-5-15(11-17(13)20)18-12-19(23(28)29-2)22(25)27-21(18)14-3-6-16(24)7-4-14/h3-12H,1-2H3,(H2,25,27)
InChIKeyVEYKERMQZOBWLX-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.78
Rot. Bonds3

About methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate

methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate (PubChem CID 154967897) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate
PubChem CID154967897
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Namemethyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3nccc(C)c3c2)c(-c2ccc(F)cc2)nc1N
InChIInChI=1S/C23H18FN3O2/c1-13-9-10-26-20-8-5-15(11-17(13)20)18-12-19(23(28)29-2)22(25)27-21(18)14-3-6-16(24)7-4-14/h3-12H,1-2H3,(H2,25,27)
InChIKeyVEYKERMQZOBWLX-UHFFFAOYSA-N
XLogP4.78
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate (CID 154967897) is methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate is COC(=O)c1cc(-c2ccc3nccc(C)c3c2)c(-c2ccc(F)cc2)nc1N.
What is the InChIKey of methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate?
The InChIKey is VEYKERMQZOBWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-13-9-10-26-20-8-5-15(11-17(13)20)18-12-19(23(28)29-2)22(25)27-21(18)14-3-6-16(24)7-4-14/h3-12H,1-2H3,(H2,25,27).
What are the key properties of methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate?
methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate has a molecular weight of 387.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyridine-3-carboxylate is sourced from PubChem (CID 154967897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).