[1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate

C15H14BrN3O3 — CID 175074313

IUPAC[1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate
SMILESNC(=O)OCC1CCN1C(=O)c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C15H14BrN3O3/c16-10-2-4-12-9(7-10)1-3-13(18-12)14(20)19-6-5-11(19)8-22-15(17)21/h1-4,7,11H,5-6,8H2,(H2,17,21)
InChIKeyVZDJSWKVWLARON-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.31
Rot. Bonds3

About [1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate

[1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate (PubChem CID 175074313) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is [1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate.

Molecular Properties

Compound Name[1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate
PubChem CID175074313
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC Name[1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate
SMILESNC(=O)OCC1CCN1C(=O)c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C15H14BrN3O3/c16-10-2-4-12-9(7-10)1-3-13(18-12)14(20)19-6-5-11(19)8-22-15(17)21/h1-4,7,11H,5-6,8H2,(H2,17,21)
InChIKeyVZDJSWKVWLARON-UHFFFAOYSA-N
XLogP2.31
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-bromoquinolin-2-yl)ethane-1,2-dione
CID 5280291
[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate
CID 175221856
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 110887007
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
[2-(3-aminopropyl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 63765568
(5-bromo-2-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028277
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 42929431
(1-carbamoylpyrrolidin-2-yl)methyl 3-bromobenzoate
CID 71987943
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110464452

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate?
The IUPAC name of [1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate (CID 175074313) is [1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate.
What is the SMILES notation for [1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate?
The canonical SMILES for [1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate is NC(=O)OCC1CCN1C(=O)c1ccc2cc(Br)ccc2n1.
What is the InChIKey of [1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate?
The InChIKey is VZDJSWKVWLARON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c16-10-2-4-12-9(7-10)1-3-13(18-12)14(20)19-6-5-11(19)8-22-15(17)21/h1-4,7,11H,5-6,8H2,(H2,17,21).
What are the key properties of [1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate?
[1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate has a molecular weight of 364.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromoquinoline-2-carbonyl)azetidin-2-yl]methyl carbamate is sourced from PubChem (CID 175074313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).