tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate

C19H25N3O2 — CID 113263719

IUPACtert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCCc2cccc3cccnc23)C1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-12-16(13-22)20-11-9-15-7-4-6-14-8-5-10-21-17(14)15/h4-8,10,16,20H,9,11-13H2,1-3H3
InChIKeyBAIWZWZHUDQOJX-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate

tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate (PubChem CID 113263719) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate
PubChem CID113263719
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nametert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCCc2cccc3cccnc23)C1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-12-16(13-22)20-11-9-15-7-4-6-14-8-5-10-21-17(14)15/h4-8,10,16,20H,9,11-13H2,1-3H3
InChIKeyBAIWZWZHUDQOJX-UHFFFAOYSA-N
XLogP2.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(quinolin-8-ylmethylamino)azetidine-1-carboxylate
CID 103740770
tert-butyl 3-[[N-ethyl-N'-(quinolin-8-ylmethyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109466351
tert-butyl 4-[2-(2-amino-3-pyridinyl)ethylamino]piperidine-1-carboxylate
CID 68535771
tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate
CID 103748619
tert-butyl N-[1-[N-ethyl-N'-(2-quinolin-8-ylethyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729649
tert-butyl 3-[2-(4-hydroxyphenyl)ethylamino]azetidine-1-carboxylate
CID 63302690
tert-butyl 3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]azetidine-1-carboxylate
CID 80681471
tert-butyl (3S)-3-[2-(2-bromophenyl)ethylamino]piperidine-1-carboxylate
CID 97056740
tert-butyl 3-[2-(4-bromophenyl)ethylamino]azetidine-1-carboxylate
CID 57355328
tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate
CID 55972152
(3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine
CID 97223040
1-ethyl-N-(2-quinolin-8-ylethyl)piperidin-4-amine
CID 81297387

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate (CID 113263719) is tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NCCc2cccc3cccnc23)C1.
What is the InChIKey of tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate?
The InChIKey is BAIWZWZHUDQOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-12-16(13-22)20-11-9-15-7-4-6-14-8-5-10-21-17(14)15/h4-8,10,16,20H,9,11-13H2,1-3H3.
What are the key properties of tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate?
tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate is sourced from PubChem (CID 113263719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).