9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one

C20H25FN2O — CID 141106424

IUPAC9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one
SMILESCC1CCc2cc(=O)c3cc(F)c(NC4CCCCC4)cc3n2C1
InChIInChI=1S/C20H25FN2O/c1-13-7-8-15-9-20(24)16-10-17(21)18(11-19(16)23(15)12-13)22-14-5-3-2-4-6-14/h9-11,13-14,22H,2-8,12H2,1H3
InChIKeyJMGOBJXXZZOTNL-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.47
Rot. Bonds2

About 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one

9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one (PubChem CID 141106424) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one.

Molecular Properties

Compound Name9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one
PubChem CID141106424
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one
SMILESCC1CCc2cc(=O)c3cc(F)c(NC4CCCCC4)cc3n2C1
InChIInChI=1S/C20H25FN2O/c1-13-7-8-15-9-20(24)16-10-17(21)18(11-19(16)23(15)12-13)22-14-5-3-2-4-6-14/h9-11,13-14,22H,2-8,12H2,1H3
InChIKeyJMGOBJXXZZOTNL-UHFFFAOYSA-N
XLogP4.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate
CID 23117801
3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione
CID 59311165
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione
CID 68590320
2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]-2-hydroxyacetic acid
CID 66636889
7-(cyclohexylamino)-6-fluoro-1-(1-methylazetidin-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 150179225
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one
CID 66636817
5-(cycloheptylamino)-2,4-difluorobenzoic acid
CID 43737089
[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid
CID 68588182
(2S)-2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]oxypropanoic acid
CID 23653460
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione
CID 59311303
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]oxyacetic acid
CID 25028694

Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one?
The IUPAC name of 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one (CID 141106424) is 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one.
What is the SMILES notation for 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one?
The canonical SMILES for 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one is CC1CCc2cc(=O)c3cc(F)c(NC4CCCCC4)cc3n2C1.
What is the InChIKey of 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one?
The InChIKey is JMGOBJXXZZOTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-13-7-8-15-9-20(24)16-10-17(21)18(11-19(16)23(15)12-13)22-14-5-3-2-4-6-14/h9-11,13-14,22H,2-8,12H2,1H3.
What are the key properties of 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one?
9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one has a molecular weight of 328.43 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one is sourced from PubChem (CID 141106424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).