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

C28H20ClFN2O4 — CID 118987446

IUPAC1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one
SMILESCOc1cc2nccc(Oc3ccc(-c4cccn(-c5cccc(Cl)c5)c4=O)cc3F)c2cc1OC
InChIInChI=1S/C28H20ClFN2O4/c1-34-26-15-21-23(16-27(26)35-2)31-11-10-24(21)36-25-9-8-17(13-22(25)30)20-7-4-12-32(28(20)33)19-6-3-5-18(29)14-19/h3-16H,1-2H3
InChIKeyPVGIMGZYLRFRTD-UHFFFAOYSA-N
MW502.93 g/mol
LogP6.65
Rot. Bonds6

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

1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one (PubChem CID 118987446) has the molecular formula C28H20ClFN2O4 and a molecular weight of 502.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one
PubChem CID118987446
Molecular FormulaC28H20ClFN2O4
Molecular Weight502.93 g/mol
Exact Mass502.11
IUPAC Name1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one
SMILESCOc1cc2nccc(Oc3ccc(-c4cccn(-c5cccc(Cl)c5)c4=O)cc3F)c2cc1OC
InChIInChI=1S/C28H20ClFN2O4/c1-34-26-15-21-23(16-27(26)35-2)31-11-10-24(21)36-25-9-8-17(13-22(25)30)20-7-4-12-32(28(20)33)19-6-3-5-18(29)14-19/h3-16H,1-2H3
InChIKeyPVGIMGZYLRFRTD-UHFFFAOYSA-N
XLogP6.65
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.93
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one (CID 118987446) is 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one is COc1cc2nccc(Oc3ccc(-c4cccn(-c5cccc(Cl)c5)c4=O)cc3F)c2cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one?
The InChIKey is PVGIMGZYLRFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClFN2O4/c1-34-26-15-21-23(16-27(26)35-2)31-11-10-24(21)36-25-9-8-17(13-22(25)30)20-7-4-12-32(28(20)33)19-6-3-5-18(29)14-19/h3-16H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one?
1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one has a molecular weight of 502.93 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]pyridin-2-one is sourced from PubChem (CID 118987446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).