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

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Related Compounds

7-amino-6-chloro-1-cyclopropyl-8-fluoro-3-methylquinolin-4-one
CID 57066161
1-cyclopropyl-8-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 169436318
1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10020881
1-cyclopropyl-6,8-difluoro-3-methyl-7-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl)quinolin-4-one
CID 58326177
7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 67271866
1-cyclopropyl-7-(4-hydroxypiperidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 10497488
7-(3-amino-2,2-dimethylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10021592
7-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 67881068
1-cyclopropyl-7-(4,7-diazaspiro[2.5]octan-7-yl)-8-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[(3S)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one
CID 170336589
1-cyclopropyl-6,8-difluoro-7-[(1S,5S,6S)-6-hydroxy-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxoquinoline-3-carboxylic acid
CID 70204380
1-cyclopropyl-6,7-difluoro-8-methoxy-3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]quinolin-4-one
CID 52947336
[1-(3-carboxy-1-cyclopropyl-6,8-difluoro-4-oxoquinolin-7-yl)-3-methylazetidin-3-yl]-trimethylazanium iodide
CID 10029612

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).