tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate

C17H20N2O3 — CID 103775238

IUPACtert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)(c2ccc3ncccc3c2)C1
InChIInChI=1S/C17H20N2O3/c1-16(2,3)22-15(20)19-10-17(21,11-19)13-6-7-14-12(9-13)5-4-8-18-14/h4-9,21H,10-11H2,1-3H3
InChIKeyHKTKPNNENBFSAC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.67
Rot. Bonds1

About tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate

tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate (PubChem CID 103775238) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
PubChem CID103775238
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nametert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)(c2ccc3ncccc3c2)C1
InChIInChI=1S/C17H20N2O3/c1-16(2,3)22-15(20)19-10-17(21,11-19)13-6-7-14-12(9-13)5-4-8-18-14/h4-9,21H,10-11H2,1-3H3
InChIKeyHKTKPNNENBFSAC-UHFFFAOYSA-N
XLogP2.67
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-hydroxy-3-quinolin-3-ylazetidine-1-carboxylate
CID 103695996
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate
CID 103748619
tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate
CID 177017600
tert-butyl 3-hydroxy-3-[3-(2-methylpropyl)phenyl]azetidine-1-carboxylate
CID 104890831
tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate
CID 115373753
tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate
CID 102544437
tert-butyl 3-(6-bromo-2-pyridinyl)-3-hydroxyazetidine-1-carboxylate
CID 155978021
tert-butyl 6-hydroxy-6-pyridin-3-yl-2-azaspiro[3.3]heptane-2-carboxylate
CID 168920605
tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171942050
ethane;quinoline-6-carboxylic acid
CID 91364452
2,2-dimethyl-4-quinolin-6-yloxan-4-ol
CID 81215986

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate (CID 103775238) is tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)(c2ccc3ncccc3c2)C1.
What is the InChIKey of tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate?
The InChIKey is HKTKPNNENBFSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-16(2,3)22-15(20)19-10-17(21,11-19)13-6-7-14-12(9-13)5-4-8-18-14/h4-9,21H,10-11H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate?
tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate is sourced from PubChem (CID 103775238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).