methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate

C16H16N2O3 — CID 59418690

IUPACmethyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(c2)NCCC3)ccc1O
InChIInChI=1S/C16H16N2O3/c1-21-16(20)15-14(19)7-6-12(18-15)11-5-4-10-3-2-8-17-13(10)9-11/h4-7,9,17,19H,2-3,8H2,1H3
InChIKeyIGVKFMPHPHKFQZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.60
Rot. Bonds2

About methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate

methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate (PubChem CID 59418690) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate
PubChem CID59418690
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(c2)NCCC3)ccc1O
InChIInChI=1S/C16H16N2O3/c1-21-16(20)15-14(19)7-6-12(18-15)11-5-4-10-3-2-8-17-13(10)9-11/h4-7,9,17,19H,2-3,8H2,1H3
InChIKeyIGVKFMPHPHKFQZ-UHFFFAOYSA-N
XLogP2.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate (CID 59418690) is methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3c(c2)NCCC3)ccc1O.
What is the InChIKey of methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate?
The InChIKey is IGVKFMPHPHKFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-16(20)15-14(19)7-6-12(18-15)11-5-4-10-3-2-8-17-13(10)9-11/h4-7,9,17,19H,2-3,8H2,1H3.
What are the key properties of methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate?
methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-6-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxylate is sourced from PubChem (CID 59418690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).