(2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate

C16H12N2O3 — CID 663730

IUPAC(2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)c1cccnc1
InChIInChI=1S/C16H12N2O3/c19-15-13(8-11-4-1-2-6-14(11)18-15)10-21-16(20)12-5-3-7-17-9-12/h1-9H,10H2,(H,18,19)
InChIKeyHXPNZMFYASDBMH-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.28
Rot. Bonds3

About (2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate

(2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate (PubChem CID 663730) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate
PubChem CID663730
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)c1cccnc1
InChIInChI=1S/C16H12N2O3/c19-15-13(8-11-4-1-2-6-14(11)18-15)10-21-16(20)12-5-3-7-17-9-12/h1-9H,10H2,(H,18,19)
InChIKeyHXPNZMFYASDBMH-UHFFFAOYSA-N
XLogP2.28
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate (CID 663730) is (2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate is O=C(OCc1cc2ccccc2[nH]c1=O)c1cccnc1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate?
The InChIKey is HXPNZMFYASDBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-13(8-11-4-1-2-6-14(11)18-15)10-21-16(20)12-5-3-7-17-9-12/h1-9H,10H2,(H,18,19).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate?
(2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl pyridine-3-carboxylate is sourced from PubChem (CID 663730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).