6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one

C18H19N3O3 — CID 15157871

IUPAC6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one
SMILESCN(CC(O)COc1ccc2[nH]c(=O)ccc2c1)c1ccccn1
InChIInChI=1S/C18H19N3O3/c1-21(17-4-2-3-9-19-17)11-14(22)12-24-15-6-7-16-13(10-15)5-8-18(23)20-16/h2-10,14,22H,11-12H2,1H3,(H,20,23)
InChIKeyKKSKCIJQQQHFTN-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.80
Rot. Bonds6

About 6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one

6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one (PubChem CID 15157871) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one
PubChem CID15157871
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one
SMILESCN(CC(O)COc1ccc2[nH]c(=O)ccc2c1)c1ccccn1
InChIInChI=1S/C18H19N3O3/c1-21(17-4-2-3-9-19-17)11-14(22)12-24-15-6-7-16-13(10-15)5-8-18(23)20-16/h2-10,14,22H,11-12H2,1H3,(H,20,23)
InChIKeyKKSKCIJQQQHFTN-UHFFFAOYSA-N
XLogP1.80
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one (CID 15157871) is 6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one is CN(CC(O)COc1ccc2[nH]c(=O)ccc2c1)c1ccccn1.
What is the InChIKey of 6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one?
The InChIKey is KKSKCIJQQQHFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21(17-4-2-3-9-19-17)11-14(22)12-24-15-6-7-16-13(10-15)5-8-18(23)20-16/h2-10,14,22H,11-12H2,1H3,(H,20,23).
What are the key properties of 6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one?
6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one has a molecular weight of 325.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-[methyl(pyridin-2-yl)amino]propoxy]-1H-quinolin-2-one is sourced from PubChem (CID 15157871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).