4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide

C26H26N4O4 — CID 58272783

IUPAC4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide
SMILESCCCC(=O)n1ccc2cc(Oc3ccnc4cc(C)c(C(=O)NC(=O)NCC)cc34)ccc21
InChIInChI=1S/C26H26N4O4/c1-4-6-24(31)30-12-10-17-14-18(7-8-22(17)30)34-23-9-11-28-21-13-16(3)19(15-20(21)23)25(32)29-26(33)27-5-2/h7-15H,4-6H2,1-3H3,(H2,27,29,32,33)
InChIKeyIJAUHWLNEVFDNM-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.19
Rot. Bonds6

About 4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide

4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide (PubChem CID 58272783) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide
PubChem CID58272783
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide
SMILESCCCC(=O)n1ccc2cc(Oc3ccnc4cc(C)c(C(=O)NC(=O)NCC)cc34)ccc21
InChIInChI=1S/C26H26N4O4/c1-4-6-24(31)30-12-10-17-14-18(7-8-22(17)30)34-23-9-11-28-21-13-16(3)19(15-20(21)23)25(32)29-26(33)27-5-2/h7-15H,4-6H2,1-3H3,(H2,27,29,32,33)
InChIKeyIJAUHWLNEVFDNM-UHFFFAOYSA-N
XLogP5.19
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide
CID 58272969
4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
CID 58272814
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-ethyl-7-methylquinoline-6-carboxamide
CID 58272742
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-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 58931280
N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide
CID 163712559
5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide
CID 87307976
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-(2-ethoxyethyl)-7-methylquinoline-6-carboxamide
CID 58272184
N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide
CID 58272212
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-(1,3-dihydroxypropan-2-yl)-7-methylquinoline-6-carboxamide
CID 58272388
4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methyl-N-propylquinoline-6-carboxamide
CID 58272919

Frequently Asked Questions

What is the IUPAC name of 4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide?
The IUPAC name of 4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide (CID 58272783) is 4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide.
What is the SMILES notation for 4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide?
The canonical SMILES for 4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide is CCCC(=O)n1ccc2cc(Oc3ccnc4cc(C)c(C(=O)NC(=O)NCC)cc34)ccc21.
What is the InChIKey of 4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide?
The InChIKey is IJAUHWLNEVFDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-4-6-24(31)30-12-10-17-14-18(7-8-22(17)30)34-23-9-11-28-21-13-16(3)19(15-20(21)23)25(32)29-26(33)27-5-2/h7-15H,4-6H2,1-3H3,(H2,27,29,32,33).
What are the key properties of 4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide?
4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide is sourced from PubChem (CID 58272783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).