2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C24H24FN3O2 — CID 170672635

IUPAC2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1nccc2cc(-c3ccc4c(c3)CCC3(CCN(C(N)=O)C(F)C3)O4)ccc12
InChIInChI=1S/C24H24FN3O2/c1-15-20-4-2-16(12-18(20)7-10-27-15)17-3-5-21-19(13-17)6-8-24(30-21)9-11-28(23(26)29)22(25)14-24/h2-5,7,10,12-13,22H,6,8-9,11,14H2,1H3,(H2,26,29)
InChIKeyDBZOPXFZHGBQKA-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.74
Rot. Bonds1

About 2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 170672635) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID170672635
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1nccc2cc(-c3ccc4c(c3)CCC3(CCN(C(N)=O)C(F)C3)O4)ccc12
InChIInChI=1S/C24H24FN3O2/c1-15-20-4-2-16(12-18(20)7-10-27-15)17-3-5-21-19(13-17)6-8-24(30-21)9-11-28(23(26)29)22(25)14-24/h2-5,7,10,12-13,22H,6,8-9,11,14H2,1H3,(H2,26,29)
InChIKeyDBZOPXFZHGBQKA-UHFFFAOYSA-N
XLogP4.74
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 170672635) is 2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is Cc1nccc2cc(-c3ccc4c(c3)CCC3(CCN(C(N)=O)C(F)C3)O4)ccc12.
What is the InChIKey of 2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is DBZOPXFZHGBQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-15-20-4-2-16(12-18(20)7-10-27-15)17-3-5-21-19(13-17)6-8-24(30-21)9-11-28(23(26)29)22(25)14-24/h2-5,7,10,12-13,22H,6,8-9,11,14H2,1H3,(H2,26,29).
What are the key properties of 2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 170672635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).