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

C24H24FN3O2 — CID 135125318

IUPAC7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1nccc2cc(-c3cc4c(cc3F)OC3(CC4)CCN(C(N)=O)CC3)ccc12
InChIInChI=1S/C24H24FN3O2/c1-15-19-3-2-16(12-17(19)5-9-27-15)20-13-18-4-6-24(30-22(18)14-21(20)25)7-10-28(11-8-24)23(26)29/h2-3,5,9,12-14H,4,6-8,10-11H2,1H3,(H2,26,29)
InChIKeyIKNHSMGMFICUDR-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.59
Rot. Bonds1

About 7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 135125318) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID135125318
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCc1nccc2cc(-c3cc4c(cc3F)OC3(CC4)CCN(C(N)=O)CC3)ccc12
InChIInChI=1S/C24H24FN3O2/c1-15-19-3-2-16(12-17(19)5-9-27-15)20-13-18-4-6-24(30-22(18)14-21(20)25)7-10-28(11-8-24)23(26)29/h2-3,5,9,12-14H,4,6-8,10-11H2,1H3,(H2,26,29)
InChIKeyIKNHSMGMFICUDR-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 135125318) is 7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is Cc1nccc2cc(-c3cc4c(cc3F)OC3(CC4)CCN(C(N)=O)CC3)ccc12.
What is the InChIKey of 7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is IKNHSMGMFICUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-15-19-3-2-16(12-17(19)5-9-27-15)20-13-18-4-6-24(30-22(18)14-21(20)25)7-10-28(11-8-24)23(26)29/h2-3,5,9,12-14H,4,6-8,10-11H2,1H3,(H2,26,29).
What are the key properties of 7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
7-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 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(1-methylisoquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 135125318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).