3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one

C15H12N2O2 — CID 75201452

IUPAC3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cccc(Cc3cccnc3)c2cc1O
InChIInChI=1S/C15H12N2O2/c18-14-8-12-11(7-10-3-2-6-16-9-10)4-1-5-13(12)17-15(14)19/h1-6,8-9,18H,7H2,(H,17,19)
InChIKeyUBGALCSAAOYRJO-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.22
Rot. Bonds2

About 3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one

3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one (PubChem CID 75201452) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one
PubChem CID75201452
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cccc(Cc3cccnc3)c2cc1O
InChIInChI=1S/C15H12N2O2/c18-14-8-12-11(7-10-3-2-6-16-9-10)4-1-5-13(12)17-15(14)19/h1-6,8-9,18H,7H2,(H,17,19)
InChIKeyUBGALCSAAOYRJO-UHFFFAOYSA-N
XLogP2.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one (CID 75201452) is 3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one is O=c1[nH]c2cccc(Cc3cccnc3)c2cc1O.
What is the InChIKey of 3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one?
The InChIKey is UBGALCSAAOYRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-8-12-11(7-10-3-2-6-16-9-10)4-1-5-13(12)17-15(14)19/h1-6,8-9,18H,7H2,(H,17,19).
What are the key properties of 3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one?
3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one has a molecular weight of 252.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(pyridin-3-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 75201452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).