1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one

C20H24FNO2 — CID 4861813

IUPAC1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
SMILESCC1CCc2cc(F)ccc2N1C(=O)C12CCC(C1)C(C)(C)C2=O
InChIInChI=1S/C20H24FNO2/c1-12-4-5-13-10-15(21)6-7-16(13)22(12)18(24)20-9-8-14(11-20)19(2,3)17(20)23/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3
InChIKeyLIZFQRYYFHUXME-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.89
Rot. Bonds1

About 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one

1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 4861813) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
PubChem CID4861813
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
SMILESCC1CCc2cc(F)ccc2N1C(=O)C12CCC(C1)C(C)(C)C2=O
InChIInChI=1S/C20H24FNO2/c1-12-4-5-13-10-15(21)6-7-16(13)22(12)18(24)20-9-8-14(11-20)19(2,3)17(20)23/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3
InChIKeyLIZFQRYYFHUXME-UHFFFAOYSA-N
XLogP3.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one (CID 4861813) is 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one is CC1CCc2cc(F)ccc2N1C(=O)C12CCC(C1)C(C)(C)C2=O.
What is the InChIKey of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is LIZFQRYYFHUXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-12-4-5-13-10-15(21)6-7-16(13)22(12)18(24)20-9-8-14(11-20)19(2,3)17(20)23/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one?
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 329.42 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 4861813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).