(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone

C21H18FN3O — CID 166210879

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C21H18FN3O/c22-15-6-4-8-17-18(15)21(9-1-2-10-21)13-25(17)20(26)14-5-3-7-16-19(14)24-12-11-23-16/h3-8,11-12H,1-2,9-10,13H2
InChIKeyAZTRFLMPBMUYOP-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.24
Rot. Bonds1

About (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone (PubChem CID 166210879) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone
PubChem CID166210879
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C21H18FN3O/c22-15-6-4-8-17-18(15)21(9-1-2-10-21)13-25(17)20(26)14-5-3-7-16-19(14)24-12-11-23-16/h3-8,11-12H,1-2,9-10,13H2
InChIKeyAZTRFLMPBMUYOP-UHFFFAOYSA-N
XLogP4.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-4-yl-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
CID 166205212
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 166180298
7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 166179900
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 166244109
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119765168
6-chloro-4-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-carbonyl)-1H-quinolin-2-one
CID 100906523
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-methylbenzotriazol-5-yl)methanone
CID 127839931
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 166205209
trans-(1R,2R)-2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 97079075
[4-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)phenyl]methanesulfonamide
CID 166205291

Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone (CID 166210879) is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone is O=C(c1cccc2nccnc12)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone?
The InChIKey is AZTRFLMPBMUYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-15-6-4-8-17-18(15)21(9-1-2-10-21)13-25(17)20(26)14-5-3-7-16-19(14)24-12-11-23-16/h3-8,11-12H,1-2,9-10,13H2.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone?
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone has a molecular weight of 347.39 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-quinoxalin-5-ylmethanone is sourced from PubChem (CID 166210879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).