3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal

C26H28N2O2 — CID 135125829

IUPAC3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal
SMILESCc1cc(-c2ccc3c(c2)CCC2(CCN(CCC=O)CC2)O3)cc2cccnc12
InChIInChI=1S/C26H28N2O2/c1-19-16-23(18-22-4-2-11-27-25(19)22)20-5-6-24-21(17-20)7-8-26(30-24)9-13-28(14-10-26)12-3-15-29/h2,4-6,11,15-18H,3,7-10,12-14H2,1H3
InChIKeyQYKNHDOGAREWHP-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.96
Rot. Bonds4

About 3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal

3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal (PubChem CID 135125829) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal.

Molecular Properties

Compound Name3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal
PubChem CID135125829
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal
SMILESCc1cc(-c2ccc3c(c2)CCC2(CCN(CCC=O)CC2)O3)cc2cccnc12
InChIInChI=1S/C26H28N2O2/c1-19-16-23(18-22-4-2-11-27-25(19)22)20-5-6-24-21(17-20)7-8-26(30-24)9-13-28(14-10-26)12-3-15-29/h2,4-6,11,15-18H,3,7-10,12-14H2,1H3
InChIKeyQYKNHDOGAREWHP-UHFFFAOYSA-N
XLogP4.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal?
The IUPAC name of 3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal (CID 135125829) is 3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal.
What is the SMILES notation for 3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal?
The canonical SMILES for 3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal is Cc1cc(-c2ccc3c(c2)CCC2(CCN(CCC=O)CC2)O3)cc2cccnc12.
What is the InChIKey of 3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal?
The InChIKey is QYKNHDOGAREWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-19-16-23(18-22-4-2-11-27-25(19)22)20-5-6-24-21(17-20)7-8-26(30-24)9-13-28(14-10-26)12-3-15-29/h2,4-6,11,15-18H,3,7-10,12-14H2,1H3.
What are the key properties of 3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal?
3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal has a molecular weight of 400.52 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal is sourced from PubChem (CID 135125829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).