2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one

C16H14N2O2 — CID 15733015

IUPAC2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one
SMILESCn1c(C(O)c2cccnc2)cc(=O)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-18-13-7-3-2-6-12(13)15(19)9-14(18)16(20)11-5-4-8-17-10-11/h2-10,16,20H,1H3
InChIKeyGOIFGGKVEZUNBO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.02
Rot. Bonds2

About 2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one

2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one (PubChem CID 15733015) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one.

Molecular Properties

Compound Name2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one
PubChem CID15733015
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one
SMILESCn1c(C(O)c2cccnc2)cc(=O)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-18-13-7-3-2-6-12(13)15(19)9-14(18)16(20)11-5-4-8-17-10-11/h2-10,16,20H,1H3
InChIKeyGOIFGGKVEZUNBO-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one?
The IUPAC name of 2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one (CID 15733015) is 2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one.
What is the SMILES notation for 2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one?
The canonical SMILES for 2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one is Cn1c(C(O)c2cccnc2)cc(=O)c2ccccc21.
What is the InChIKey of 2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one?
The InChIKey is GOIFGGKVEZUNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-13-7-3-2-6-12(13)15(19)9-14(18)16(20)11-5-4-8-17-10-11/h2-10,16,20H,1H3.
What are the key properties of 2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one?
2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one is sourced from PubChem (CID 15733015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).