N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

C21H21FN2O2 — CID 120882894

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CC12CCOc1ccccc12
InChIInChI=1S/C21H21FN2O2/c22-19-14-7-9-23-12-13(14)5-6-17(19)24-20(25)16-11-21(16)8-10-26-18-4-2-1-3-15(18)21/h1-6,16,23H,7-12H2,(H,24,25)
InChIKeyQIGUGHGKJOSPFB-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.15
Rot. Bonds2

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 120882894) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID120882894
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CC12CCOc1ccccc12
InChIInChI=1S/C21H21FN2O2/c22-19-14-7-9-23-12-13(14)5-6-17(19)24-20(25)16-11-21(16)8-10-26-18-4-2-1-3-15(18)21/h1-6,16,23H,7-12H2,(H,24,25)
InChIKeyQIGUGHGKJOSPFB-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 120882894) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is O=C(Nc1ccc2c(c1F)CCNC2)C1CC12CCOc1ccccc12.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is QIGUGHGKJOSPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-19-14-7-9-23-12-13(14)5-6-17(19)24-20(25)16-11-21(16)8-10-26-18-4-2-1-3-15(18)21/h1-6,16,23H,7-12H2,(H,24,25).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 120882894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).