6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde

C24H24N2O2 — CID 135141595

IUPAC6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde
SMILESCc1c(-c2ccc3c(c2)CCC2(CCN(C=O)CC2)O3)ccc2cccnc12
InChIInChI=1S/C24H24N2O2/c1-17-21(6-4-18-3-2-12-25-23(17)18)19-5-7-22-20(15-19)8-9-24(28-22)10-13-26(16-27)14-11-24/h2-7,12,15-16H,8-11,13-14H2,1H3
InChIKeyNSWYBAVGERUILG-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.53
Rot. Bonds2

About 6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde

6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde (PubChem CID 135141595) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde.

Molecular Properties

Compound Name6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde
PubChem CID135141595
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde
SMILESCc1c(-c2ccc3c(c2)CCC2(CCN(C=O)CC2)O3)ccc2cccnc12
InChIInChI=1S/C24H24N2O2/c1-17-21(6-4-18-3-2-12-25-23(17)18)19-5-7-22-20(15-19)8-9-24(28-22)10-13-26(16-27)14-11-24/h2-7,12,15-16H,8-11,13-14H2,1H3
InChIKeyNSWYBAVGERUILG-UHFFFAOYSA-N
XLogP4.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde?
The IUPAC name of 6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde (CID 135141595) is 6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde.
What is the SMILES notation for 6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde?
The canonical SMILES for 6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde is Cc1c(-c2ccc3c(c2)CCC2(CCN(C=O)CC2)O3)ccc2cccnc12.
What is the InChIKey of 6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde?
The InChIKey is NSWYBAVGERUILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17-21(6-4-18-3-2-12-25-23(17)18)19-5-7-22-20(15-19)8-9-24(28-22)10-13-26(16-27)14-11-24/h2-7,12,15-16H,8-11,13-14H2,1H3.
What are the key properties of 6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde?
6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde has a molecular weight of 372.47 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde is sourced from PubChem (CID 135141595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).