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

C28H22N2O4 — CID 118987429

IUPAC3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one
SMILESCOc1cc2nccc(Oc3ccc(-c4cccn(-c5ccccc5)c4=O)cc3)c2cc1OC
InChIInChI=1S/C28H22N2O4/c1-32-26-17-23-24(18-27(26)33-2)29-15-14-25(23)34-21-12-10-19(11-13-21)22-9-6-16-30(28(22)31)20-7-4-3-5-8-20/h3-18H,1-2H3
InChIKeyKXCCHCPDWVBKRW-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.86
Rot. Bonds6

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

3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one (PubChem CID 118987429) has the molecular formula C28H22N2O4 and a molecular weight of 450.49 g/mol. Its IUPAC name is 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one.

Molecular Properties

Compound Name3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one
PubChem CID118987429
Molecular FormulaC28H22N2O4
Molecular Weight450.49 g/mol
Exact Mass450.16
IUPAC Name3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one
SMILESCOc1cc2nccc(Oc3ccc(-c4cccn(-c5ccccc5)c4=O)cc3)c2cc1OC
InChIInChI=1S/C28H22N2O4/c1-32-26-17-23-24(18-27(26)33-2)29-15-14-25(23)34-21-12-10-19(11-13-21)22-9-6-16-30(28(22)31)20-7-4-3-5-8-20/h3-18H,1-2H3
InChIKeyKXCCHCPDWVBKRW-UHFFFAOYSA-N
XLogP5.86
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.86
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-phenylpyridin-2-one?
The IUPAC name of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one (CID 118987429) is 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one.
What is the SMILES notation for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one?
The canonical SMILES for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one is COc1cc2nccc(Oc3ccc(-c4cccn(-c5ccccc5)c4=O)cc3)c2cc1OC.
What is the InChIKey of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one?
The InChIKey is KXCCHCPDWVBKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O4/c1-32-26-17-23-24(18-27(26)33-2)29-15-14-25(23)34-21-12-10-19(11-13-21)22-9-6-16-30(28(22)31)20-7-4-3-5-8-20/h3-18H,1-2H3.
What are the key properties of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one?
3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-phenylpyridin-2-one has a molecular weight of 450.49 g/mol, XLogP of 5.86, 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-phenylpyridin-2-one is sourced from PubChem (CID 118987429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).