ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate

C23H23FN2O2 — CID 143286248

IUPACethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)c(CC2CC=c3ccccc3=N2)c2cc(F)ccc21
InChIInChI=1S/C23H23FN2O2/c1-3-28-23(27)14-26-15(2)19(20-12-17(24)9-11-22(20)26)13-18-10-8-16-6-4-5-7-21(16)25-18/h4-9,11-12,18H,3,10,13-14H2,1-2H3
InChIKeyXVKDERNYHAVCOW-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.07
Rot. Bonds5

About ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate

ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate (PubChem CID 143286248) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate
PubChem CID143286248
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Nameethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)c(CC2CC=c3ccccc3=N2)c2cc(F)ccc21
InChIInChI=1S/C23H23FN2O2/c1-3-28-23(27)14-26-15(2)19(20-12-17(24)9-11-22(20)26)13-18-10-8-16-6-4-5-7-21(16)25-18/h4-9,11-12,18H,3,10,13-14H2,1-2H3
InChIKeyXVKDERNYHAVCOW-UHFFFAOYSA-N
XLogP3.07
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(2,3-dihydro-1,2-benzothiazol-5-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate
CID 145445888
ethyl 2-[3-[1-(1-benzothiophen-3-yl)ethyl]-5-fluoro-2-methylindol-1-yl]acetate
CID 138662978
ethyl 2-[(3S)-6-fluoro-3-[methyl-[2-(2-methylphenyl)acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
CID 123908885
methyl 2-[5-fluoro-2-methyl-3-[[6-oxo-1-(pyridin-2-ylmethyl)pyridazin-3-yl]methyl]indol-1-yl]acetate
CID 67150745
CID 69403690
CID 69403690
ethyl 2-[(3S)-6-fluoro-3-[methyl(3-phenylpropanoyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetate
CID 123604306
2-[5-fluoro-2-methyl-3-[(3-phenoxyphenyl)methyl]indol-1-yl]acetic acid
CID 67159554
ethyl 2-[3-[[3-[1,1-difluoro-2-(4-methylphenyl)sulfonyloxyethyl]-4-(methylsulfamoyl)phenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate
CID 153422648
methyl 2-[5-fluoro-2-methyl-3-[4-[methyl(propanoyl)amino]cyclohexyl]indol-1-yl]acetate
CID 130440217
methyl 2-[3-[[2-(benzenesulfonyl)-1,3-oxazol-4-yl]methyl]-5-fluoro-2-methylindol-1-yl]acetate
CID 68761897
methyl 2-[5-fluoro-2-methyl-3-(4-propylcyclohexyl)indol-1-yl]acetate
CID 130433721
sodium 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetate
CID 24743480

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate (CID 143286248) is ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate is CCOC(=O)Cn1c(C)c(CC2CC=c3ccccc3=N2)c2cc(F)ccc21.
What is the InChIKey of ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate?
The InChIKey is XVKDERNYHAVCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-3-28-23(27)14-26-15(2)19(20-12-17(24)9-11-22(20)26)13-18-10-8-16-6-4-5-7-21(16)25-18/h4-9,11-12,18H,3,10,13-14H2,1-2H3.
What are the key properties of ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate?
ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate has a molecular weight of 378.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2,3-dihydroquinolin-2-ylmethyl)-5-fluoro-2-methylindol-1-yl]acetate is sourced from PubChem (CID 143286248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).