1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one

C19H23NO2 — CID 18834249

IUPAC1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(C(=O)N1CCCc3ccccc31)C(=O)C2
InChIInChI=1S/C19H23NO2/c1-18(2)14-9-10-19(18,16(21)12-14)17(22)20-11-5-7-13-6-3-4-8-15(13)20/h3-4,6,8,14H,5,7,9-12H2,1-2H3
InChIKeyWDMZKDHNELXGNP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.36
Rot. Bonds1

About 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one

1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 18834249) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
PubChem CID18834249
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
SMILESCC1(C)C2CCC1(C(=O)N1CCCc3ccccc31)C(=O)C2
InChIInChI=1S/C19H23NO2/c1-18(2)14-9-10-19(18,16(21)12-14)17(22)20-11-5-7-13-6-3-4-8-15(13)20/h3-4,6,8,14H,5,7,9-12H2,1-2H3
InChIKeyWDMZKDHNELXGNP-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]methanone
CID 108981201
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115441389
azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
CID 108980420
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one
CID 142386717
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
phenyl 7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 18834306
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 3242452
2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone
CID 2950902
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one (CID 18834249) is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one is CC1(C)C2CCC1(C(=O)N1CCCc3ccccc31)C(=O)C2.
What is the InChIKey of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is WDMZKDHNELXGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-18(2)14-9-10-19(18,16(21)12-14)17(22)20-11-5-7-13-6-3-4-8-15(13)20/h3-4,6,8,14H,5,7,9-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one?
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-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 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 18834249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).