(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one

C19H23NO2 — CID 98294897

IUPAC(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
SMILESO=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCCc3ccccc31)C2
InChIInChI=1S/C19H23NO2/c21-18-14-6-3-7-15(18)12-16(11-14)19(22)20-10-4-8-13-5-1-2-9-17(13)20/h1-2,5,9,14-16H,3-4,6-8,10-12H2/t14-,15-/m0/s1
InChIKeyMJJROEXKRUXCQJ-GJZGRUSLSA-N
MW297.40 g/mol
LogP3.36
Rot. Bonds1

About (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one

(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one (PubChem CID 98294897) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
PubChem CID98294897
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
SMILESO=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCCc3ccccc31)C2
InChIInChI=1S/C19H23NO2/c21-18-14-6-3-7-15(18)12-16(11-14)19(22)20-10-4-8-13-5-1-2-9-17(13)20/h1-2,5,9,14-16H,3-4,6-8,10-12H2/t14-,15-/m0/s1
InChIKeyMJJROEXKRUXCQJ-GJZGRUSLSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one with MolForge

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683
3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone
CID 110857121
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 4786854
3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113006349
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
CID 97040954
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984287
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one
CID 142386717
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 3242452

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The IUPAC name of (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one (CID 98294897) is (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one is O=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCCc3ccccc31)C2.
What is the InChIKey of (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The InChIKey is MJJROEXKRUXCQJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18-14-6-3-7-15(18)12-16(11-14)19(22)20-10-4-8-13-5-1-2-9-17(13)20/h1-2,5,9,14-16H,3-4,6-8,10-12H2/t14-,15-/m0/s1.
What are the key properties of (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one has a molecular weight of 297.40 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 98294897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).