tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate

C17H21N3O2 — CID 58547859

IUPACtert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)18-13-10-20(11-13)15-9-8-12-6-4-5-7-14(12)19-15/h4-9,13H,10-11H2,1-3H3,(H,18,21)
InChIKeyQIUMNEWVRSFXFO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.95
Rot. Bonds2

About tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate

tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate (PubChem CID 58547859) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate
PubChem CID58547859
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nametert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)18-13-10-20(11-13)15-9-8-12-6-4-5-7-14(12)19-15/h4-9,13H,10-11H2,1-3H3,(H,18,21)
InChIKeyQIUMNEWVRSFXFO-UHFFFAOYSA-N
XLogP2.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(5-bromo-2-pyridinyl)azetidin-3-yl]carbamate
CID 172529779
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[1-(3-cyanoquinolin-2-yl)pyrrolidin-3-yl]carbamate
CID 77496249
tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 71648476
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
CID 66570422
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
tert-butyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58547533
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
tert-butyl N-[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamate
CID 129161455
tert-butyl N-[(3S)-1-(6-bromo-2-pyridinyl)piperidin-3-yl]carbamate
CID 86318359

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate (CID 58547859) is tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CN(c2ccc3ccccc3n2)C1.
What is the InChIKey of tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate?
The InChIKey is QIUMNEWVRSFXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)18-13-10-20(11-13)15-9-8-12-6-4-5-7-14(12)19-15/h4-9,13H,10-11H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate?
tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate has a molecular weight of 299.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-quinolin-2-ylazetidin-3-yl)carbamate is sourced from PubChem (CID 58547859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).