3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one

C15H13N3O — CID 79235393

IUPAC3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
SMILESNc1cccn(Cc2ccnc3ccccc23)c1=O
InChIInChI=1S/C15H13N3O/c16-13-5-3-9-18(15(13)19)10-11-7-8-17-14-6-2-1-4-12(11)14/h1-9H,10,16H2
InChIKeyCKGBXHWXCRTURU-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.03
Rot. Bonds2

About 3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one

3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one (PubChem CID 79235393) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
PubChem CID79235393
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
SMILESNc1cccn(Cc2ccnc3ccccc23)c1=O
InChIInChI=1S/C15H13N3O/c16-13-5-3-9-18(15(13)19)10-11-7-8-17-14-6-2-1-4-12(11)14/h1-9H,10,16H2
InChIKeyCKGBXHWXCRTURU-UHFFFAOYSA-N
XLogP2.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one (CID 79235393) is 3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one is Nc1cccn(Cc2ccnc3ccccc23)c1=O.
What is the InChIKey of 3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one?
The InChIKey is CKGBXHWXCRTURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-13-5-3-9-18(15(13)19)10-11-7-8-17-14-6-2-1-4-12(11)14/h1-9H,10,16H2.
What are the key properties of 3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one?
3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 79235393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).