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

C28H20ClFN2O4 — CID 118987447

IUPAC1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]pyridin-2-one
SMILESCOc1cc2nccc(Oc3ccc(-c4cccn(-c5cccc(Cl)c5)c4=O)c(F)c3)c2cc1OC
InChIInChI=1S/C28H20ClFN2O4/c1-34-26-15-22-24(16-27(26)35-2)31-11-10-25(22)36-19-8-9-20(23(30)14-19)21-7-4-12-32(28(21)33)18-6-3-5-17(29)13-18/h3-16H,1-2H3
InChIKeyLGPCOMAEVZKEOO-UHFFFAOYSA-N
MW502.93 g/mol
LogP6.65
Rot. Bonds6

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

1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]pyridin-2-one (PubChem CID 118987447) 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-2-fluorophenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]pyridin-2-one
PubChem CID118987447
Molecular FormulaC28H20ClFN2O4
Molecular Weight502.93 g/mol
Exact Mass502.11
IUPAC Name1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]pyridin-2-one
SMILESCOc1cc2nccc(Oc3ccc(-c4cccn(-c5cccc(Cl)c5)c4=O)c(F)c3)c2cc1OC
InChIInChI=1S/C28H20ClFN2O4/c1-34-26-15-22-24(16-27(26)35-2)31-11-10-25(22)36-19-8-9-20(23(30)14-19)21-7-4-12-32(28(21)33)18-6-3-5-17(29)13-18/h3-16H,1-2H3
InChIKeyLGPCOMAEVZKEOO-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-2-fluorophenyl]pyridin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]pyridin-2-one (CID 118987447) is 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]pyridin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]pyridin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]pyridin-2-one is COc1cc2nccc(Oc3ccc(-c4cccn(-c5cccc(Cl)c5)c4=O)c(F)c3)c2cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]pyridin-2-one?
The InChIKey is LGPCOMAEVZKEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClFN2O4/c1-34-26-15-22-24(16-27(26)35-2)31-11-10-25(22)36-19-8-9-20(23(30)14-19)21-7-4-12-32(28(21)33)18-6-3-5-17(29)13-18/h3-16H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]pyridin-2-one?
1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-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-2-fluorophenyl]pyridin-2-one is sourced from PubChem (CID 118987447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).