ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate

C32H26N2O3 — CID 170559814

IUPACethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1OC1c2ccccc2-c2ccc(-c3ccc4ccnc(N)c4c3)cc21
InChIInChI=1S/C32H26N2O3/c1-2-36-30(35)19-23-7-3-6-10-29(23)37-31-26-9-5-4-8-24(26)25-14-13-22(18-28(25)31)21-12-11-20-15-16-34-32(33)27(20)17-21/h3-18,31H,2,19H2,1H3,(H2,33,34)
InChIKeyUFXJKJSJWJFCOM-UHFFFAOYSA-N
MW486.57 g/mol
LogP6.74
Rot. Bonds6

About ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate

ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate (PubChem CID 170559814) has the molecular formula C32H26N2O3 and a molecular weight of 486.57 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate
PubChem CID170559814
Molecular FormulaC32H26N2O3
Molecular Weight486.57 g/mol
Exact Mass486.19
IUPAC Nameethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1OC1c2ccccc2-c2ccc(-c3ccc4ccnc(N)c4c3)cc21
InChIInChI=1S/C32H26N2O3/c1-2-36-30(35)19-23-7-3-6-10-29(23)37-31-26-9-5-4-8-24(26)25-14-13-22(18-28(25)31)21-12-11-20-15-16-34-32(33)27(20)17-21/h3-18,31H,2,19H2,1H3,(H2,33,34)
InChIKeyUFXJKJSJWJFCOM-UHFFFAOYSA-N
XLogP6.74
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate with MolForge

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Related Compounds

7-(4-Phenylmethoxyphenyl)isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 44525689
7-(3-Phenylmethoxyphenyl)isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 44525703
Isopropyl 1-(N-((4''-methoxy-3''-methyl-[1,1''-biphenyl]-4-yl)methyl) cyclohexanecarboxamido)isoquinoline-6-carboxylate
CID 126718709
2-[2-[[7-(1-Aminoisoquinolin-7-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560902
trans-ethyl (1S,2S)-2-[4-[[(1R)-7-fluoro-4-isoquinolin-5-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylate
CID 89933366
ethyl 2-[2-[[(1R)-6-(1-aminoisoquinolin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]acetate
CID 170558744
2-[2-[[(1R)-6-(1-aminoisoquinolin-7-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-4-(trifluoromethyl)phenyl]acetic acid
CID 170558781
ethyl 2-[2-[[(1R)-6-(1-aminoisoquinolin-5-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-4-(trifluoromethyl)phenyl]acetate
CID 170558836
2-[2-[[6-(1-aminoisoquinolin-7-yl)-4-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetic acid
CID 170558875
ethyl 2-[2-[[(1R)-6-(1-aminoisoquinolin-7-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]acetate
CID 170558899
2-[2-[6-(1-Aminoisoquinolin-7-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-1-yl]oxy-4-fluorophenyl]acetic acid
CID 170558966
Ethyl 2-[2-[[6-(1-aminoisoquinolin-7-yl)-2,2-dimethyl-1,3-dihydroinden-1-yl]oxy]-4-fluorophenyl]acetate
CID 170559009

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate (CID 170559814) is ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate is CCOC(=O)Cc1ccccc1OC1c2ccccc2-c2ccc(-c3ccc4ccnc(N)c4c3)cc21.
What is the InChIKey of ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate?
The InChIKey is UFXJKJSJWJFCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O3/c1-2-36-30(35)19-23-7-3-6-10-29(23)37-31-26-9-5-4-8-24(26)25-14-13-22(18-28(25)31)21-12-11-20-15-16-34-32(33)27(20)17-21/h3-18,31H,2,19H2,1H3,(H2,33,34).
What are the key properties of ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate?
ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate has a molecular weight of 486.57 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(1-aminoisoquinolin-7-yl)-9H-fluoren-9-yl]oxy]phenyl]acetate is sourced from PubChem (CID 170559814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).