4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide

C26H24F2N4O5 — CID 58272969

IUPAC4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)CCCF)c3)c2cc1C(=O)NC(=O)NCCF
InChIInChI=1S/C26H24F2N4O5/c1-36-23-15-20-18(14-19(23)25(34)31-26(35)30-11-9-28)22(6-10-29-20)37-17-4-5-21-16(13-17)7-12-32(21)24(33)3-2-8-27/h4-7,10,12-15H,2-3,8-9,11H2,1H3,(H2,30,31,34,35)
InChIKeyRRLDOKSGZUTYFJ-UHFFFAOYSA-N
MW510.50 g/mol
LogP4.79
Rot. Bonds9

About 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide

4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide (PubChem CID 58272969) has the molecular formula C26H24F2N4O5 and a molecular weight of 510.50 g/mol. Its IUPAC name is 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide
PubChem CID58272969
Molecular FormulaC26H24F2N4O5
Molecular Weight510.50 g/mol
Exact Mass510.17
IUPAC Name4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)CCCF)c3)c2cc1C(=O)NC(=O)NCCF
InChIInChI=1S/C26H24F2N4O5/c1-36-23-15-20-18(14-19(23)25(34)31-26(35)30-11-9-28)22(6-10-29-20)37-17-4-5-21-16(13-17)7-12-32(21)24(33)3-2-8-27/h4-7,10,12-15H,2-3,8-9,11H2,1H3,(H2,30,31,34,35)
InChIKeyRRLDOKSGZUTYFJ-UHFFFAOYSA-N
XLogP4.79
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide with MolForge

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Related Compounds

4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide
CID 58272783
5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide
CID 87307976
7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 58931280
1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
CID 58272935
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
CID 68668381
7-methoxy-4-[1-(3-methylsulfanylpropyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 22936996
4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 89363640
4-[3-fluoro-4-(2-fluoroethylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 58930854
4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
CID 58272814
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
7-methoxy-4-(3-methoxyphenoxy)-N-methylquinoline-6-carboxamide
CID 69131598
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide (CID 58272969) is 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc4c(ccn4C(=O)CCCF)c3)c2cc1C(=O)NC(=O)NCCF.
What is the InChIKey of 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide?
The InChIKey is RRLDOKSGZUTYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O5/c1-36-23-15-20-18(14-19(23)25(34)31-26(35)30-11-9-28)22(6-10-29-20)37-17-4-5-21-16(13-17)7-12-32(21)24(33)3-2-8-27/h4-7,10,12-15H,2-3,8-9,11H2,1H3,(H2,30,31,34,35).
What are the key properties of 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide?
4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide has a molecular weight of 510.50 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 58272969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).