1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione

C20H22FNO3 — CID 18834355

IUPAC1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
SMILESCC1CCc2cc(F)ccc2N1C(=O)C12CCC(C(=O)C1=O)C2(C)C
InChIInChI=1S/C20H22FNO3/c1-11-4-5-12-10-13(21)6-7-15(12)22(11)18(25)20-9-8-14(19(20,2)3)16(23)17(20)24/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyWEUZSEBASOSTIJ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.07
Rot. Bonds1

About 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione

1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione (PubChem CID 18834355) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione.

Molecular Properties

Compound Name1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
PubChem CID18834355
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
SMILESCC1CCc2cc(F)ccc2N1C(=O)C12CCC(C(=O)C1=O)C2(C)C
InChIInChI=1S/C20H22FNO3/c1-11-4-5-12-10-13(21)6-7-15(12)22(11)18(25)20-9-8-14(19(20,2)3)16(23)17(20)24/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyWEUZSEBASOSTIJ-UHFFFAOYSA-N
XLogP3.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione?
The IUPAC name of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione (CID 18834355) is 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione.
What is the SMILES notation for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione?
The canonical SMILES for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione is CC1CCc2cc(F)ccc2N1C(=O)C12CCC(C(=O)C1=O)C2(C)C.
What is the InChIKey of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione?
The InChIKey is WEUZSEBASOSTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-11-4-5-12-10-13(21)6-7-15(12)22(11)18(25)20-9-8-14(19(20,2)3)16(23)17(20)24/h6-7,10-11,14H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione?
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione has a molecular weight of 343.40 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione is sourced from PubChem (CID 18834355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).