4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide

C27H23N5O3 — CID 58272814

IUPAC4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
SMILESCCNC(=O)n1ccc2cc(Oc3ccnc4cc(C)c(C(=O)Nc5ccccn5)cc34)ccc21
InChIInChI=1S/C27H23N5O3/c1-3-28-27(34)32-13-10-18-15-19(7-8-23(18)32)35-24-9-12-29-22-14-17(2)20(16-21(22)24)26(33)31-25-6-4-5-11-30-25/h4-16H,3H2,1-2H3,(H,28,34)(H,30,31,33)
InChIKeyLZLAGUDNSBTJLO-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.52
Rot. Bonds5

About 4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide

4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide (PubChem CID 58272814) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
PubChem CID58272814
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC Name4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
SMILESCCNC(=O)n1ccc2cc(Oc3ccnc4cc(C)c(C(=O)Nc5ccccn5)cc34)ccc21
InChIInChI=1S/C27H23N5O3/c1-3-28-27(34)32-13-10-18-15-19(7-8-23(18)32)35-24-9-12-29-22-14-17(2)20(16-21(22)24)26(33)31-25-6-4-5-11-30-25/h4-16H,3H2,1-2H3,(H,28,34)(H,30,31,33)
InChIKeyLZLAGUDNSBTJLO-UHFFFAOYSA-N
XLogP5.52
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-butanoylindol-5-yl)oxy-N-(ethylcarbamoyl)-7-methylquinoline-6-carboxamide
CID 58272783
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
CID 58272647
N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide
CID 163712559
7-methoxy-4-[1-(3-methylsulfanylpropylcarbamoyl)indol-5-yl]oxyquinoline-6-carboxamide
CID 58931280
5-[6-[[carbamoyl(2-fluoroethyl)amino]carbamoyl]-7-methoxyquinolin-4-yl]oxy-N-(2-fluoroethyl)indole-1-carboxamide
CID 87307976
4-[1-(4-fluorobutanoyl)indol-5-yl]oxy-N-(2-fluoroethylcarbamoyl)-7-methoxyquinoline-6-carboxamide
CID 58272969
1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
CID 58272935
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-ethyl-7-methylquinoline-6-carboxamide
CID 58272742
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
CID 68668381
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
N-ethyl-4-[4-[[2-(4-fluorophenyl)acetyl]-methylamino]phenoxy]-7-methylquinoline-6-carboxamide
CID 58272212
N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide
CID 23072181

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide?
The IUPAC name of 4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide (CID 58272814) is 4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide.
What is the SMILES notation for 4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide?
The canonical SMILES for 4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide is CCNC(=O)n1ccc2cc(Oc3ccnc4cc(C)c(C(=O)Nc5ccccn5)cc34)ccc21.
What is the InChIKey of 4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide?
The InChIKey is LZLAGUDNSBTJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-3-28-27(34)32-13-10-18-15-19(7-8-23(18)32)35-24-9-12-29-22-14-17(2)20(16-21(22)24)26(33)31-25-6-4-5-11-30-25/h4-16H,3H2,1-2H3,(H,28,34)(H,30,31,33).
What are the key properties of 4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide?
4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylcarbamoyl)indol-5-yl]oxy-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide is sourced from PubChem (CID 58272814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).