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

C28H21FN2O4 — CID 118987430

IUPAC3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one
SMILESCOc1cc2nccc(Oc3ccc(-c4cccn(-c5cccc(F)c5)c4=O)cc3)c2cc1OC
InChIInChI=1S/C28H21FN2O4/c1-33-26-16-23-24(17-27(26)34-2)30-13-12-25(23)35-21-10-8-18(9-11-21)22-7-4-14-31(28(22)32)20-6-3-5-19(29)15-20/h3-17H,1-2H3
InChIKeyJGFNXSOZXBHIHB-UHFFFAOYSA-N
MW468.48 g/mol
LogP6.00
Rot. Bonds6

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

3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one (PubChem CID 118987430) has the molecular formula C28H21FN2O4 and a molecular weight of 468.48 g/mol. Its IUPAC name is 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one
PubChem CID118987430
Molecular FormulaC28H21FN2O4
Molecular Weight468.48 g/mol
Exact Mass468.15
IUPAC Name3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one
SMILESCOc1cc2nccc(Oc3ccc(-c4cccn(-c5cccc(F)c5)c4=O)cc3)c2cc1OC
InChIInChI=1S/C28H21FN2O4/c1-33-26-16-23-24(17-27(26)34-2)30-13-12-25(23)35-21-10-8-18(9-11-21)22-7-4-14-31(28(22)32)20-6-3-5-19(29)15-20/h3-17H,1-2H3
InChIKeyJGFNXSOZXBHIHB-UHFFFAOYSA-N
XLogP6.00
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one?
The IUPAC name of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one (CID 118987430) is 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one?
The canonical SMILES for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one is COc1cc2nccc(Oc3ccc(-c4cccn(-c5cccc(F)c5)c4=O)cc3)c2cc1OC.
What is the InChIKey of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one?
The InChIKey is JGFNXSOZXBHIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN2O4/c1-33-26-16-23-24(17-27(26)34-2)30-13-12-25(23)35-21-10-8-18(9-11-21)22-7-4-14-31(28(22)32)20-6-3-5-19(29)15-20/h3-17H,1-2H3.
What are the key properties of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one?
3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one has a molecular weight of 468.48 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(3-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 118987430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).