3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one

C29H24N2O5 — CID 118987432

IUPAC3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one
SMILESCOc1cccc(-n2cccc(-c3ccc(Oc4ccnc5cc(OC)c(OC)cc45)cc3)c2=O)c1
InChIInChI=1S/C29H24N2O5/c1-33-22-7-4-6-20(16-22)31-15-5-8-23(29(31)32)19-9-11-21(12-10-19)36-26-13-14-30-25-18-28(35-3)27(34-2)17-24(25)26/h4-18H,1-3H3
InChIKeyOFEFBCKWVLRMER-UHFFFAOYSA-N
MW480.52 g/mol
LogP5.87
Rot. Bonds7

About 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one

3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one (PubChem CID 118987432) has the molecular formula C29H24N2O5 and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one
PubChem CID118987432
Molecular FormulaC29H24N2O5
Molecular Weight480.52 g/mol
Exact Mass480.17
IUPAC Name3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one
SMILESCOc1cccc(-n2cccc(-c3ccc(Oc4ccnc5cc(OC)c(OC)cc45)cc3)c2=O)c1
InChIInChI=1S/C29H24N2O5/c1-33-22-7-4-6-20(16-22)31-15-5-8-23(29(31)32)19-9-11-21(12-10-19)36-26-13-14-30-25-18-28(35-3)27(34-2)17-24(25)26/h4-18H,1-3H3
InChIKeyOFEFBCKWVLRMER-UHFFFAOYSA-N
XLogP5.87
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one?
The IUPAC name of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one (CID 118987432) is 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one is COc1cccc(-n2cccc(-c3ccc(Oc4ccnc5cc(OC)c(OC)cc45)cc3)c2=O)c1.
What is the InChIKey of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one?
The InChIKey is OFEFBCKWVLRMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O5/c1-33-22-7-4-6-20(16-22)31-15-5-8-23(29(31)32)19-9-11-21(12-10-19)36-26-13-14-30-25-18-28(35-3)27(34-2)17-24(25)26/h4-18H,1-3H3.
What are the key properties of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one?
3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one has a molecular weight of 480.52 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 118987432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).