[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate

C17H24FN2O2+ — CID 7235948

IUPAC[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)OC[C@H]1CCC[NH+]2CCCC[C@@H]12
InChIInChI=1S/C17H23FN2O2/c18-14-7-1-2-8-15(14)19-17(21)22-12-13-6-5-11-20-10-4-3-9-16(13)20/h1-2,7-8,13,16H,3-6,9-12H2,(H,19,21)/p+1/t13-,16+/m1/s1
InChIKeyHVIUQKDBHLZZEJ-CJNGLKHVSA-O
MW307.39 g/mol
LogP2.22
Rot. Bonds3

About [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate

[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate (PubChem CID 7235948) has the molecular formula C17H24FN2O2+ and a molecular weight of 307.39 g/mol. Its IUPAC name is [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate
PubChem CID7235948
Molecular FormulaC17H24FN2O2+
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)OC[C@H]1CCC[NH+]2CCCC[C@@H]12
InChIInChI=1S/C17H23FN2O2/c18-14-7-1-2-8-15(14)19-17(21)22-12-13-6-5-11-20-10-4-3-9-16(13)20/h1-2,7-8,13,16H,3-6,9-12H2,(H,19,21)/p+1/t13-,16+/m1/s1
InChIKeyHVIUQKDBHLZZEJ-CJNGLKHVSA-O
XLogP2.22
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-phenylcarbamate
CID 11871214
[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(4-chlorophenyl)carbamate
CID 7290179
pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
CID 79337811
[(1R,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(thiophene-2-carbonyl)carbamate
CID 7310737
[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 3,4-difluorobenzoate
CID 11894457
1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl N-(4-chlorophenoxy)sulfonylcarbamate
CID 4184658
[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 2-methylpropanoate
CID 11874171
[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 4-methoxybenzoate
CID 6942190
1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
CID 102874295
3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate
CID 14276839
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
2-O-[[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl] 1-O-benzyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 11876287

Frequently Asked Questions

What is the IUPAC name of [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate?
The IUPAC name of [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate (CID 7235948) is [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate.
What is the SMILES notation for [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate?
The canonical SMILES for [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate is O=C(Nc1ccccc1F)OC[C@H]1CCC[NH+]2CCCC[C@@H]12.
What is the InChIKey of [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate?
The InChIKey is HVIUQKDBHLZZEJ-CJNGLKHVSA-O. The full InChI is InChI=1S/C17H23FN2O2/c18-14-7-1-2-8-15(14)19-17(21)22-12-13-6-5-11-20-10-4-3-9-16(13)20/h1-2,7-8,13,16H,3-6,9-12H2,(H,19,21)/p+1/t13-,16+/m1/s1.
What are the key properties of [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate?
[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate has a molecular weight of 307.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 7235948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).