6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde

C17H18N2O — CID 169002521

IUPAC6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde
SMILESO=CN1CC2(CC(Cc3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C17H18N2O/c20-12-19-10-17(11-19)8-13(9-17)7-15-6-5-14-3-1-2-4-16(14)18-15/h1-6,12-13H,7-11H2
InChIKeyPUVZAPDSYDTMPS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.65
Rot. Bonds3

About 6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde

6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde (PubChem CID 169002521) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde.

Molecular Properties

Compound Name6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde
PubChem CID169002521
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde
SMILESO=CN1CC2(CC(Cc3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C17H18N2O/c20-12-19-10-17(11-19)8-13(9-17)7-15-6-5-14-3-1-2-4-16(14)18-15/h1-6,12-13H,7-11H2
InChIKeyPUVZAPDSYDTMPS-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(quinolin-2-ylmethyl)pyrrolidin-2-one
CID 113441322
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
formic acid;(3S,4R)-1-pentan-3-yl-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 154918863
N-cyclopropyl-2-(quinolin-2-ylmethylamino)acetamide
CID 43401916
1-(2,2-dimethylcyclopropyl)-N-(quinolin-2-ylmethyl)methanamine
CID 103699442
3-(quinolin-2-ylmethyl)-2,3-dihydroinden-1-one
CID 158495411
CID 89210421
CID 89210421
[2-(quinolin-2-ylmethyl)cyclohexyl]methanamine
CID 81010257
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-(iodomethyl)quinoline
CID 19432604
1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158

Frequently Asked Questions

What is the IUPAC name of 6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde?
The IUPAC name of 6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde (CID 169002521) is 6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde.
What is the SMILES notation for 6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde?
The canonical SMILES for 6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde is O=CN1CC2(CC(Cc3ccc4ccccc4n3)C2)C1.
What is the InChIKey of 6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde?
The InChIKey is PUVZAPDSYDTMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-12-19-10-17(11-19)8-13(9-17)7-15-6-5-14-3-1-2-4-16(14)18-15/h1-6,12-13H,7-11H2.
What are the key properties of 6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde?
6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde has a molecular weight of 266.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinolin-2-ylmethyl)-2-azaspiro[3.3]heptane-2-carbaldehyde is sourced from PubChem (CID 169002521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).