4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one

C26H24ClN3O4 — CID 69079262

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc2nc(COC3CCCCO3)ccc2c1
InChIInChI=1S/C26H24ClN3O4/c27-19-5-7-20(28-15-19)16-33-23-10-11-30(25(31)14-23)22-8-9-24-18(13-22)4-6-21(29-24)17-34-26-3-1-2-12-32-26/h4-11,13-15,26H,1-3,12,16-17H2
InChIKeyXKZYZJHHWCXUOC-UHFFFAOYSA-N
MW477.95 g/mol
LogP5.06
Rot. Bonds7

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one (PubChem CID 69079262) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one
PubChem CID69079262
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc2nc(COC3CCCCO3)ccc2c1
InChIInChI=1S/C26H24ClN3O4/c27-19-5-7-20(28-15-19)16-33-23-10-11-30(25(31)14-23)22-8-9-24-18(13-22)4-6-21(29-24)17-34-26-3-1-2-12-32-26/h4-11,13-15,26H,1-3,12,16-17H2
InChIKeyXKZYZJHHWCXUOC-UHFFFAOYSA-N
XLogP5.06
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.95
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one (CID 69079262) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one is O=c1cc(OCc2ccc(Cl)cn2)ccn1-c1ccc2nc(COC3CCCCO3)ccc2c1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one?
The InChIKey is XKZYZJHHWCXUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c27-19-5-7-20(28-15-19)16-33-23-10-11-30(25(31)14-23)22-8-9-24-18(13-22)4-6-21(29-24)17-34-26-3-1-2-12-32-26/h4-11,13-15,26H,1-3,12,16-17H2.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one has a molecular weight of 477.95 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one is sourced from PubChem (CID 69079262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).