1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one

C18H19N3O3 — CID 69081221

IUPAC1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one
SMILESCN(C)CCOc1ccc2cc(-n3ccc(O)cc3=O)ccc2n1
InChIInChI=1S/C18H19N3O3/c1-20(2)9-10-24-17-6-3-13-11-14(4-5-16(13)19-17)21-8-7-15(22)12-18(21)23/h3-8,11-12,22H,9-10H2,1-2H3
InChIKeyJYUUBGWSVLRRQE-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one

1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one (PubChem CID 69081221) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one
PubChem CID69081221
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one
SMILESCN(C)CCOc1ccc2cc(-n3ccc(O)cc3=O)ccc2n1
InChIInChI=1S/C18H19N3O3/c1-20(2)9-10-24-17-6-3-13-11-14(4-5-16(13)19-17)21-8-7-15(22)12-18(21)23/h3-8,11-12,22H,9-10H2,1-2H3
InChIKeyJYUUBGWSVLRRQE-UHFFFAOYSA-N
XLogP2.03
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one (CID 69081221) is 1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one is CN(C)CCOc1ccc2cc(-n3ccc(O)cc3=O)ccc2n1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one?
The InChIKey is JYUUBGWSVLRRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-20(2)9-10-24-17-6-3-13-11-14(4-5-16(13)19-17)21-8-7-15(22)12-18(21)23/h3-8,11-12,22H,9-10H2,1-2H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one?
1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethoxy]quinolin-6-yl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 69081221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).