1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone

C27H21FN2O4 — CID 58272935

IUPAC1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)Cc4ccc(F)cc4)c3)c2cc1OC
InChIInChI=1S/C27H21FN2O4/c1-32-25-15-21-22(16-26(25)33-2)29-11-9-24(21)34-20-7-8-23-18(14-20)10-12-30(23)27(31)13-17-3-5-19(28)6-4-17/h3-12,14-16H,13H2,1-2H3
InChIKeyDLCLTQCESJCUMW-UHFFFAOYSA-N
MW456.47 g/mol
LogP6.02
Rot. Bonds6

About 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone

1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 58272935) has the molecular formula C27H21FN2O4 and a molecular weight of 456.47 g/mol. Its IUPAC name is 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID58272935
Molecular FormulaC27H21FN2O4
Molecular Weight456.47 g/mol
Exact Mass456.15
IUPAC Name1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)Cc4ccc(F)cc4)c3)c2cc1OC
InChIInChI=1S/C27H21FN2O4/c1-32-25-15-21-22(16-26(25)33-2)29-11-9-24(21)34-20-7-8-23-18(14-20)10-12-30(23)27(31)13-17-3-5-19(28)6-4-17/h3-12,14-16H,13H2,1-2H3
InChIKeyDLCLTQCESJCUMW-UHFFFAOYSA-N
XLogP6.02
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.47
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone with MolForge

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Related Compounds

4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide
CID 58272969
1-[4-(6-amino-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)propan-2-one
CID 58272950
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
CID 68668381
1-(2,4-difluorophenyl)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methoxypentane-2,4-dione
CID 58249497
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
1-(2,4-difluorophenyl)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-sulfanylidenepentan-2-one
CID 58249610
7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 58931280
1-[4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-6-methoxyquinolin-7-yl]propan-1-one
CID 159295377
methyl 4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-6-methoxyquinoline-7-carboxylate
CID 159464647
[2-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-(4-fluorophenyl)methanone
CID 22936508

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone (CID 58272935) is 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone is COc1cc2nccc(Oc3ccc4c(ccn4C(=O)Cc4ccc(F)cc4)c3)c2cc1OC.
What is the InChIKey of 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is DLCLTQCESJCUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O4/c1-32-25-15-21-22(16-26(25)33-2)29-11-9-24(21)34-20-7-8-23-18(14-20)10-12-30(23)27(31)13-17-3-5-19(28)6-4-17/h3-12,14-16H,13H2,1-2H3.
What are the key properties of 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone?
1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 456.47 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 58272935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).