[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate

C26H26FN3O5 — CID 146509557

IUPAC[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate
SMILESCCOc1cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCOC[C@@H]1C
InChIInChI=1S/C26H26FN3O5/c1-4-33-23-13-20-17(12-24(23)35-26(31)30-9-10-32-14-16(30)3)21(7-8-28-20)34-22-6-5-19-18(25(22)27)11-15(2)29-19/h5-8,11-13,16,29H,4,9-10,14H2,1-3H3/t16-/m0/s1
InChIKeyYZAKARNKZKMQIY-INIZCTEOSA-N
MW479.51 g/mol
LogP5.57
Rot. Bonds5

About [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate

[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate (PubChem CID 146509557) has the molecular formula C26H26FN3O5 and a molecular weight of 479.51 g/mol. Its IUPAC name is [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Name[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate
PubChem CID146509557
Molecular FormulaC26H26FN3O5
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC Name[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate
SMILESCCOc1cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCOC[C@@H]1C
InChIInChI=1S/C26H26FN3O5/c1-4-33-23-13-20-17(12-24(23)35-26(31)30-9-10-32-14-16(30)3)21(7-8-28-20)34-22-6-5-19-18(25(22)27)11-15(2)29-19/h5-8,11-13,16,29H,4,9-10,14H2,1-3H3/t16-/m0/s1
InChIKeyYZAKARNKZKMQIY-INIZCTEOSA-N
XLogP5.57
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3,4-dimethylpiperazine-1-carboxylate
CID 146509101
7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinoline
CID 146508389
4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 85469418
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-7-ol
CID 137046070
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-hydroxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
CID 151563575
ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid
CID 143120826
ethane;6-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3,5-dihydroxyhexanoic acid;prop-1-ene
CID 143120871
4-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]cyclobutyl]morpholine
CID 156634131
(2S)-2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 68840024
tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate
CID 146271170
4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 123411897
3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one;6-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane;6-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-6-azaspiro[3.3]heptane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;7-[3-[6-methoxy-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]quinolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.4]octane
CID 159338818

Frequently Asked Questions

What is the IUPAC name of [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate?
The IUPAC name of [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate (CID 146509557) is [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate.
What is the SMILES notation for [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate?
The canonical SMILES for [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate is CCOc1cc2nccc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC(=O)N1CCOC[C@@H]1C.
What is the InChIKey of [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate?
The InChIKey is YZAKARNKZKMQIY-INIZCTEOSA-N. The full InChI is InChI=1S/C26H26FN3O5/c1-4-33-23-13-20-17(12-24(23)35-26(31)30-9-10-32-14-16(30)3)21(7-8-28-20)34-22-6-5-19-18(25(22)27)11-15(2)29-19/h5-8,11-13,16,29H,4,9-10,14H2,1-3H3/t16-/m0/s1.
What are the key properties of [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate?
[7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate has a molecular weight of 479.51 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-6-yl] (3S)-3-methylmorpholine-4-carboxylate is sourced from PubChem (CID 146509557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).