[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone

C17H15NO — CID 132534099

IUPAC[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C17H15NO/c19-17(15-10-11-6-7-13(15)9-11)14-5-1-3-12-4-2-8-18-16(12)14/h1-8,11,13,15H,9-10H2/t11-,13+,15+/m0/s1
InChIKeyDEBDBNFJTZVAJS-NJZAAPMLSA-N
MW249.31 g/mol
LogP3.63
Rot. Bonds2

About [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone

[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone (PubChem CID 132534099) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone
PubChem CID132534099
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C17H15NO/c19-17(15-10-11-6-7-13(15)9-11)14-5-1-3-12-4-2-8-18-16(12)14/h1-8,11,13,15H,9-10H2/t11-,13+,15+/m0/s1
InChIKeyDEBDBNFJTZVAJS-NJZAAPMLSA-N
XLogP3.63
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylcyclopropyl)-quinolin-8-ylmethanone
CID 115790655
cyclopentyl(quinolin-8-yl)methanone
CID 81220027
1-quinolin-8-ylprop-2-yn-1-one
CID 105108252
[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98066243
palladium;quinoline-8-carboxylic acid
CID 174945118
3-(quinoline-8-carbonyl)cyclopentan-1-one
CID 79638933
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide
CID 97315545
(5,6-dimethyl-1,4-dithian-2-yl)-quinolin-8-ylmethanone
CID 103344942
N-(2-aminocyclopropyl)quinoline-8-carboxamide
CID 62875389
(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119564484

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone?
The IUPAC name of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone (CID 132534099) is [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone.
What is the SMILES notation for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone?
The canonical SMILES for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone is O=C(c1cccc2cccnc12)[C@@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone?
The InChIKey is DEBDBNFJTZVAJS-NJZAAPMLSA-N. The full InChI is InChI=1S/C17H15NO/c19-17(15-10-11-6-7-13(15)9-11)14-5-1-3-12-4-2-8-18-16(12)14/h1-8,11,13,15H,9-10H2/t11-,13+,15+/m0/s1.
What are the key properties of [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone?
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone has a molecular weight of 249.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-quinolin-8-ylmethanone is sourced from PubChem (CID 132534099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).