2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H19NO2 — CID 63215258

IUPAC2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CC2C=CC1C2)N1CCCc2cccc(O)c21
InChIInChI=1S/C17H19NO2/c19-15-5-1-3-12-4-2-8-18(16(12)15)17(20)14-10-11-6-7-13(14)9-11/h1,3,5-7,11,13-14,19H,2,4,8-10H2
InChIKeyMIPARAROZDIONF-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.88
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 63215258) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID63215258
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CC2C=CC1C2)N1CCCc2cccc(O)c21
InChIInChI=1S/C17H19NO2/c19-15-5-1-3-12-4-2-8-18(16(12)15)17(20)14-10-11-6-7-13(14)9-11/h1,3,5-7,11,13-14,19H,2,4,8-10H2
InChIKeyMIPARAROZDIONF-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 11921007
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159866
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 106741641
N,N-diethyl-8-hydroxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 79161867
2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215456
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103977977
5-(8-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 63215159
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 63214929
7-fluoro-4-(8-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 138996765
3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 76987242

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 63215258) is 2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(C1CC2C=CC1C2)N1CCCc2cccc(O)c21.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is MIPARAROZDIONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-15-5-1-3-12-4-2-8-18(16(12)15)17(20)14-10-11-6-7-13(14)9-11/h1,3,5-7,11,13-14,19H,2,4,8-10H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 269.34 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 63215258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).