ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate

C23H29FN2O3 — CID 23117801

IUPACethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate
SMILESCCOC(=O)C1CC(C)Cn2c1cc(=O)c1cc(F)c(NC3CCCCC3)cc12
InChIInChI=1S/C23H29FN2O3/c1-3-29-23(28)17-9-14(2)13-26-20-11-19(25-15-7-5-4-6-8-15)18(24)10-16(20)22(27)12-21(17)26/h10-12,14-15,17,25H,3-9,13H2,1-2H3
InChIKeyWFPXQZAVVLANPM-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.57
Rot. Bonds4

About ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate

ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate (PubChem CID 23117801) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate.

Molecular Properties

Compound Nameethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate
PubChem CID23117801
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Nameethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate
SMILESCCOC(=O)C1CC(C)Cn2c1cc(=O)c1cc(F)c(NC3CCCCC3)cc12
InChIInChI=1S/C23H29FN2O3/c1-3-29-23(28)17-9-14(2)13-26-20-11-19(25-15-7-5-4-6-8-15)18(24)10-16(20)22(27)12-21(17)26/h10-12,14-15,17,25H,3-9,13H2,1-2H3
InChIKeyWFPXQZAVVLANPM-UHFFFAOYSA-N
XLogP4.57
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate with MolForge

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Related Compounds

9-(cyclohexylamino)-8-fluoro-2-methyl-1,2,3,4-tetrahydrobenzo[c]quinolizin-6-one
CID 141106424
ethyl 4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-2-methoxybutanoate
CID 59311209
ethyl 2-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethylamino]acetate
CID 59311158
ethyl 4-[[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]amino]but-2-enoate
CID 91029545
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-2,4-dioxoquinazolin-3-yl]oxyacetic acid
CID 25028694
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid
CID 68588182
ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate
CID 68598367
ethyl 3-(2-aminoethyl)-2-oxocyclododecane-1-carboxylate
CID 143751733
(2S)-2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]oxypropanoic acid
CID 23653460

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate?
The IUPAC name of ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate (CID 23117801) is ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate.
What is the SMILES notation for ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate?
The canonical SMILES for ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate is CCOC(=O)C1CC(C)Cn2c1cc(=O)c1cc(F)c(NC3CCCCC3)cc12.
What is the InChIKey of ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate?
The InChIKey is WFPXQZAVVLANPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-3-29-23(28)17-9-14(2)13-26-20-11-19(25-15-7-5-4-6-8-15)18(24)10-16(20)22(27)12-21(17)26/h10-12,14-15,17,25H,3-9,13H2,1-2H3.
What are the key properties of ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate?
ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate has a molecular weight of 400.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(cyclohexylamino)-8-fluoro-2-methyl-6-oxo-1,2,3,4-tetrahydrobenzo[f]quinolizine-4-carboxylate is sourced from PubChem (CID 23117801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).