5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one

C18H19N3O — CID 454441

IUPAC5-ethyl-6-methyl-3-(quinolin-3-ylmethylamino)-1H-pyridin-2-one
SMILESCCC1=C(NC(=O)C(=C1)NCC2=CC3=CC=CC=C3N=C2)C
InChIInChI=1S/C18H19N3O/c1-3-14-9-17(18(22)21-12(14)2)20-11-13-8-15-6-4-5-7-16(15)19-10-13/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyRJDHCISUIBFLAH-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.90
Rot. Bonds4

About 5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one

5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one (PubChem CID 454441) has the molecular formula C18H19N3O and a molecular weight of 293.40 g/mol. Its IUPAC name is 5-ethyl-6-methyl-3-(quinolin-3-ylmethylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one
PubChem CID454441
Molecular FormulaC18H19N3O
Molecular Weight293.40 g/mol
Exact Mass293.15
IUPAC Name5-ethyl-6-methyl-3-(quinolin-3-ylmethylamino)-1H-pyridin-2-one
SMILESCCC1=C(NC(=O)C(=C1)NCC2=CC3=CC=CC=C3N=C2)C
InChIInChI=1S/C18H19N3O/c1-3-14-9-17(18(22)21-12(14)2)20-11-13-8-15-6-4-5-7-16(15)19-10-13/h4-10,20H,3,11H2,1-2H3,(H,21,22)
InChIKeyRJDHCISUIBFLAH-UHFFFAOYSA-N
XLogP2.90
TPSA54.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity495

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one (CID 454441) is 5-ethyl-6-methyl-3-(quinolin-3-ylmethylamino)-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one is CCC1=C(NC(=O)C(=C1)NCC2=CC3=CC=CC=C3N=C2)C.
What is the InChIKey of 5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one?
The InChIKey is RJDHCISUIBFLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-14-9-17(18(22)21-12(14)2)20-11-13-8-15-6-4-5-7-16(15)19-10-13/h4-10,20H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one?
5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one has a molecular weight of 293.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one is sourced from PubChem (CID 454441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).