3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one

C30H24FN3O5 — CID 159384472

IUPAC3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4cn(C)cc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC
InChIInChI=1S/C30H24FN3O5/c1-34-16-23(18-4-6-19(31)7-5-18)30(36)24(17-34)26(35)12-20-8-9-21(15-33-20)39-27-10-11-32-25-14-29(38-3)28(37-2)13-22(25)27/h4-11,13-17H,12H2,1-3H3
InChIKeyLLHZDUCYPRBGHX-UHFFFAOYSA-N
MW525.54 g/mol
LogP5.37
Rot. Bonds8

About 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one

3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one (PubChem CID 159384472) has the molecular formula C30H24FN3O5 and a molecular weight of 525.54 g/mol. Its IUPAC name is 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one.

Molecular Properties

Compound Name3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
PubChem CID159384472
Molecular FormulaC30H24FN3O5
Molecular Weight525.54 g/mol
Exact Mass525.17
IUPAC Name3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)c4cn(C)cc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC
InChIInChI=1S/C30H24FN3O5/c1-34-16-23(18-4-6-19(31)7-5-18)30(36)24(17-34)26(35)12-20-8-9-21(15-33-20)39-27-10-11-32-25-14-29(38-3)28(37-2)13-22(25)27/h4-11,13-17H,12H2,1-3H3
InChIKeyLLHZDUCYPRBGHX-UHFFFAOYSA-N
XLogP5.37
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.54
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one with MolForge

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Related Compounds

1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridin-4-one
CID 163609579
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(2-fluoro-4-methoxyphenyl)-1-propan-2-ylpyridin-4-one
CID 158979652
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(thian-4-ylmethyl)pyridin-4-one
CID 158442515
5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridazin-4-one
CID 157070197
3-[2-[5-[[3-(4,4-difluorobutan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
CID 160710418
1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one
CID 163439084
5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one
CID 147031383
1-cyclopropyl-3-[2-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-3-pyridinyl]acetyl]-5-(4-fluorophenyl)pyridin-4-one
CID 167669509
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide
CID 139336947
1-cyclopropyl-5-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-3-(4-fluorophenyl)pyridazin-4-one;2-cyclopropyl-6-(4-fluorophenyl)-5-oxopyridazine-4-carboxylic acid;2-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-5-amine
CID 163835225
3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one
CID 167533425
3-[2-[5-(3-amino-2-chlorophenoxy)-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one
CID 167534603

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one?
The IUPAC name of 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one (CID 159384472) is 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one.
What is the SMILES notation for 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one?
The canonical SMILES for 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one is COc1cc2nccc(Oc3ccc(CC(=O)c4cn(C)cc(-c5ccc(F)cc5)c4=O)nc3)c2cc1OC.
What is the InChIKey of 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one?
The InChIKey is LLHZDUCYPRBGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN3O5/c1-34-16-23(18-4-6-19(31)7-5-18)30(36)24(17-34)26(35)12-20-8-9-21(15-33-20)39-27-10-11-32-25-14-29(38-3)28(37-2)13-22(25)27/h4-11,13-17H,12H2,1-3H3.
What are the key properties of 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one?
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one has a molecular weight of 525.54 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one is sourced from PubChem (CID 159384472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).