methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate

C16H16N2O3 — CID 66286325

IUPACmethyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2cccc3c2NCCC3)ccn1
InChIInChI=1S/C16H16N2O3/c1-20-16(19)13-10-12(7-9-17-13)21-14-6-2-4-11-5-3-8-18-15(11)14/h2,4,6-7,9-10,18H,3,5,8H2,1H3
InChIKeyCWLFYBNEAVVDJV-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.02
Rot. Bonds3

About methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate

methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate (PubChem CID 66286325) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate
PubChem CID66286325
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Oc2cccc3c2NCCC3)ccn1
InChIInChI=1S/C16H16N2O3/c1-20-16(19)13-10-12(7-9-17-13)21-14-6-2-4-11-5-3-8-18-15(11)14/h2,4,6-7,9-10,18H,3,5,8H2,1H3
InChIKeyCWLFYBNEAVVDJV-UHFFFAOYSA-N
XLogP3.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate (CID 66286325) is methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate is COC(=O)c1cc(Oc2cccc3c2NCCC3)ccn1.
What is the InChIKey of methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate?
The InChIKey is CWLFYBNEAVVDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-16(19)13-10-12(7-9-17-13)21-14-6-2-4-11-5-3-8-18-15(11)14/h2,4,6-7,9-10,18H,3,5,8H2,1H3.
What are the key properties of methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate?
methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate is sourced from PubChem (CID 66286325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).