(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone

C22H23FN2O — CID 166233205

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
SMILESO=C(c1ccc2c(c1)CNCC2)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C22H23FN2O/c23-18-4-3-5-19-20(18)22(9-1-2-10-22)14-25(19)21(26)16-7-6-15-8-11-24-13-17(15)12-16/h3-7,12,24H,1-2,8-11,13-14H2
InChIKeyWTRMQMBFPWNPGS-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.94
Rot. Bonds1

About (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone (PubChem CID 166233205) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
PubChem CID166233205
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
SMILESO=C(c1ccc2c(c1)CNCC2)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C22H23FN2O/c23-18-4-3-5-19-20(18)22(9-1-2-10-22)14-25(19)21(26)16-7-6-15-8-11-24-13-17(15)12-16/h3-7,12,24H,1-2,8-11,13-14H2
InChIKeyWTRMQMBFPWNPGS-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone (CID 166233205) is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone is O=C(c1ccc2c(c1)CNCC2)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The InChIKey is WTRMQMBFPWNPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c23-18-4-3-5-19-20(18)22(9-1-2-10-22)14-25(19)21(26)16-7-6-15-8-11-24-13-17(15)12-16/h3-7,12,24H,1-2,8-11,13-14H2.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone has a molecular weight of 350.44 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone is sourced from PubChem (CID 166233205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).