1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one

C20H24FN3O — CID 70412294

IUPAC1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one
SMILESCc1cn(C2CC2)c2c(F)c(N3CCN4CCC3(C)C4)ccc2c1=O
InChIInChI=1S/C20H24FN3O/c1-13-11-23(14-3-4-14)18-15(19(13)25)5-6-16(17(18)21)24-10-9-22-8-7-20(24,2)12-22/h5-6,11,14H,3-4,7-10,12H2,1-2H3
InChIKeyTWHSRWGMBUUTDG-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.07
Rot. Bonds2

About 1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one

1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one (PubChem CID 70412294) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one
PubChem CID70412294
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one
SMILESCc1cn(C2CC2)c2c(F)c(N3CCN4CCC3(C)C4)ccc2c1=O
InChIInChI=1S/C20H24FN3O/c1-13-11-23(14-3-4-14)18-15(19(13)25)5-6-16(17(18)21)24-10-9-22-8-7-20(24,2)12-22/h5-6,11,14H,3-4,7-10,12H2,1-2H3
InChIKeyTWHSRWGMBUUTDG-UHFFFAOYSA-N
XLogP3.07
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one 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-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one?
The IUPAC name of 1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one (CID 70412294) is 1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one?
The canonical SMILES for 1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one is Cc1cn(C2CC2)c2c(F)c(N3CCN4CCC3(C)C4)ccc2c1=O.
What is the InChIKey of 1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one?
The InChIKey is TWHSRWGMBUUTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-13-11-23(14-3-4-14)18-15(19(13)25)5-6-16(17(18)21)24-10-9-22-8-7-20(24,2)12-22/h5-6,11,14H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one?
1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one has a molecular weight of 341.43 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-fluoro-3-methyl-7-(5-methyl-1,4-diazabicyclo[3.2.1]octan-4-yl)quinolin-4-one is sourced from PubChem (CID 70412294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).