[2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone

C26H19FN2O4 — CID 22936508

IUPAC[2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone
SMILESCOc1cc2nccc(Oc3cc4ccccc4n3C(=O)c3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C26H19FN2O4/c1-31-23-14-19-20(15-24(23)32-2)28-12-11-22(19)33-25-13-17-5-3-4-6-21(17)29(25)26(30)16-7-9-18(27)10-8-16/h3-15H,1-2H3
InChIKeyUNGVCUYKUTVQGH-UHFFFAOYSA-N
MW442.45 g/mol
LogP5.83
Rot. Bonds5

About [2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone

[2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone (PubChem CID 22936508) has the molecular formula C26H19FN2O4 and a molecular weight of 442.45 g/mol. Its IUPAC name is [2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone
PubChem CID22936508
Molecular FormulaC26H19FN2O4
Molecular Weight442.45 g/mol
Exact Mass442.13
IUPAC Name[2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone
SMILESCOc1cc2nccc(Oc3cc4ccccc4n3C(=O)c3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C26H19FN2O4/c1-31-23-14-19-20(15-24(23)32-2)28-12-11-22(19)33-25-13-17-5-3-4-6-21(17)29(25)26(30)16-7-9-18(27)10-8-16/h3-15H,1-2H3
InChIKeyUNGVCUYKUTVQGH-UHFFFAOYSA-N
XLogP5.83
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
CID 58272935
[4-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]piperazin-1-yl]-phenylmethanone
CID 58170285
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
methane;4,6,7-trimethoxyquinoline
CID 157066291
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175469572
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 59813803

Frequently Asked Questions

What is the IUPAC name of [2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone (CID 22936508) is [2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone is COc1cc2nccc(Oc3cc4ccccc4n3C(=O)c3ccc(F)cc3)c2cc1OC.
What is the InChIKey of [2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is UNGVCUYKUTVQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O4/c1-31-23-14-19-20(15-24(23)32-2)28-12-11-22(19)33-25-13-17-5-3-4-6-21(17)29(25)26(30)16-7-9-18(27)10-8-16/h3-15H,1-2H3.
What are the key properties of [2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone?
[2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 442.45 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 22936508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).