4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one

C22H19N3O2 — CID 59237469

IUPAC4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one
SMILESO=c1cc(Oc2cccc(NCCc3cccnc3)c2)c2ccccc2[nH]1
InChIInChI=1S/C22H19N3O2/c26-22-14-21(19-8-1-2-9-20(19)25-22)27-18-7-3-6-17(13-18)24-12-10-16-5-4-11-23-15-16/h1-9,11,13-15,24H,10,12H2,(H,25,26)
InChIKeyPIILTPSHMCNQSL-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.37
Rot. Bonds6

About 4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one

4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one (PubChem CID 59237469) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one
PubChem CID59237469
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one
SMILESO=c1cc(Oc2cccc(NCCc3cccnc3)c2)c2ccccc2[nH]1
InChIInChI=1S/C22H19N3O2/c26-22-14-21(19-8-1-2-9-20(19)25-22)27-18-7-3-6-17(13-18)24-12-10-16-5-4-11-23-15-16/h1-9,11,13-15,24H,10,12H2,(H,25,26)
InChIKeyPIILTPSHMCNQSL-UHFFFAOYSA-N
XLogP4.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one?
The IUPAC name of 4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one (CID 59237469) is 4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one.
What is the SMILES notation for 4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one?
The canonical SMILES for 4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one is O=c1cc(Oc2cccc(NCCc3cccnc3)c2)c2ccccc2[nH]1.
What is the InChIKey of 4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one?
The InChIKey is PIILTPSHMCNQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-22-14-21(19-8-1-2-9-20(19)25-22)27-18-7-3-6-17(13-18)24-12-10-16-5-4-11-23-15-16/h1-9,11,13-15,24H,10,12H2,(H,25,26).
What are the key properties of 4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one?
4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one has a molecular weight of 357.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-pyridin-3-ylethylamino)phenoxy]-1H-quinolin-2-one is sourced from PubChem (CID 59237469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).