3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one

C16H15N3O — CID 107017504

IUPAC3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
SMILESNCc1cccn(Cc2cccc3cccnc23)c1=O
InChIInChI=1S/C16H15N3O/c17-10-13-7-3-9-19(16(13)20)11-14-5-1-4-12-6-2-8-18-15(12)14/h1-9H,10-11,17H2
InChIKeyNWLXXXLGQZDLKT-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.90
Rot. Bonds3

About 3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one

3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one (PubChem CID 107017504) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
PubChem CID107017504
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
SMILESNCc1cccn(Cc2cccc3cccnc23)c1=O
InChIInChI=1S/C16H15N3O/c17-10-13-7-3-9-19(16(13)20)11-14-5-1-4-12-6-2-8-18-15(12)14/h1-9H,10-11,17H2
InChIKeyNWLXXXLGQZDLKT-UHFFFAOYSA-N
XLogP1.90
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66405485
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
CID 66329338
6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one
CID 114582096
aluminum quinolin-8-ylmethanol
CID 23124809
6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
CID 81427905
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
CID 63926675
5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione
CID 81423514
1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid
CID 81423377

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one (CID 107017504) is 3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one is NCc1cccn(Cc2cccc3cccnc23)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one?
The InChIKey is NWLXXXLGQZDLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-10-13-7-3-9-19(16(13)20)11-14-5-1-4-12-6-2-8-18-15(12)14/h1-9H,10-11,17H2.
What are the key properties of 3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one?
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one has a molecular weight of 265.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one is sourced from PubChem (CID 107017504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).