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

C16H14N2O — CID 83130354

IUPAC3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one
SMILESCc1cc(Cc2ccc3ccccc3n2)c[nH]c1=O
InChIInChI=1S/C16H14N2O/c1-11-8-12(10-17-16(11)19)9-14-7-6-13-4-2-3-5-15(13)18-14/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyFYKWIMYZSXTFJL-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.82
Rot. Bonds2

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

3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one (PubChem CID 83130354) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one
PubChem CID83130354
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one
SMILESCc1cc(Cc2ccc3ccccc3n2)c[nH]c1=O
InChIInChI=1S/C16H14N2O/c1-11-8-12(10-17-16(11)19)9-14-7-6-13-4-2-3-5-15(13)18-14/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyFYKWIMYZSXTFJL-UHFFFAOYSA-N
XLogP2.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one (CID 83130354) is 3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one is Cc1cc(Cc2ccc3ccccc3n2)c[nH]c1=O.
What is the InChIKey of 3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one?
The InChIKey is FYKWIMYZSXTFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-8-12(10-17-16(11)19)9-14-7-6-13-4-2-3-5-15(13)18-14/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of 3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one?
3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(quinolin-2-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 83130354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).