1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one

C19H21N3O2 — CID 66961479

IUPAC1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one
SMILESCC(NCCOc1ccc2c(ccc(=O)n2C)c1)c1cccnc1
InChIInChI=1S/C19H21N3O2/c1-14(16-4-3-9-20-13-16)21-10-11-24-17-6-7-18-15(12-17)5-8-19(23)22(18)2/h3-9,12-14,21H,10-11H2,1-2H3
InChIKeyHMTXLFBNUAWWGQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.66
Rot. Bonds6

About 1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one

1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one (PubChem CID 66961479) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one
PubChem CID66961479
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one
SMILESCC(NCCOc1ccc2c(ccc(=O)n2C)c1)c1cccnc1
InChIInChI=1S/C19H21N3O2/c1-14(16-4-3-9-20-13-16)21-10-11-24-17-6-7-18-15(12-17)5-8-19(23)22(18)2/h3-9,12-14,21H,10-11H2,1-2H3
InChIKeyHMTXLFBNUAWWGQ-UHFFFAOYSA-N
XLogP2.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one
CID 66960537
1-methyl-6-[2-[2-pyridin-3-ylethyl(pyridin-3-ylmethyl)amino]ethoxy]quinolin-2-one;trihydrochloride
CID 66960064
1-methyl-6-[3-[2-pyridin-4-ylethyl(pyridin-3-ylmethyl)amino]propoxy]quinolin-2-one;trihydrochloride
CID 140651680
1-methyl-6-[3-[[3-(1-oxoisoquinolin-2-yl)-1-pyridin-4-ylpropyl]amino]propoxy]quinolin-2-one;dihydrochloride
CID 90369304
1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one
CID 66961029
1-methyl-6-[2-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]ethoxy]quinolin-2-one;trihydrochloride
CID 66960035
N-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 90230068
1-ethyl-6-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one
CID 70656482
N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 90229570
1-methyl-6-[2-[pyridin-4-ylmethyl-[(E)-3-pyridin-3-ylprop-2-enyl]amino]ethoxy]quinolin-2-one;trihydrochloride
CID 66960620
N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride
CID 90369240

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one?
The IUPAC name of 1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one (CID 66961479) is 1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one?
The canonical SMILES for 1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one is CC(NCCOc1ccc2c(ccc(=O)n2C)c1)c1cccnc1.
What is the InChIKey of 1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one?
The InChIKey is HMTXLFBNUAWWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(16-4-3-9-20-13-16)21-10-11-24-17-6-7-18-15(12-17)5-8-19(23)22(18)2/h3-9,12-14,21H,10-11H2,1-2H3.
What are the key properties of 1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one?
1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one is sourced from PubChem (CID 66961479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).