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

C16H15N3O — CID 79235474

IUPAC3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
SMILESCc1cc(Cn2cccc(N)c2=O)c2ccccc2n1
InChIInChI=1S/C16H15N3O/c1-11-9-12(13-5-2-3-7-15(13)18-11)10-19-8-4-6-14(17)16(19)20/h2-9H,10,17H2,1H3
InChIKeyKHWSWVJIIMAEHB-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.34
Rot. Bonds2

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

3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one (PubChem CID 79235474) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
PubChem CID79235474
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
SMILESCc1cc(Cn2cccc(N)c2=O)c2ccccc2n1
InChIInChI=1S/C16H15N3O/c1-11-9-12(13-5-2-3-7-15(13)18-11)10-19-8-4-6-14(17)16(19)20/h2-9H,10,17H2,1H3
InChIKeyKHWSWVJIIMAEHB-UHFFFAOYSA-N
XLogP2.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one (CID 79235474) is 3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one is Cc1cc(Cn2cccc(N)c2=O)c2ccccc2n1.
What is the InChIKey of 3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one?
The InChIKey is KHWSWVJIIMAEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-9-12(13-5-2-3-7-15(13)18-11)10-19-8-4-6-14(17)16(19)20/h2-9H,10,17H2,1H3.
What are the key properties of 3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one?
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 79235474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).