(6-bromoquinolin-3-yl) carbamate

C10H7BrN2O2 — CID 175521488

IUPAC(6-bromoquinolin-3-yl) carbamate
SMILESNC(=O)Oc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C10H7BrN2O2/c11-7-1-2-9-6(3-7)4-8(5-13-9)15-10(12)14/h1-5H,(H2,12,14)
InChIKeySTNDLHCEKUDBEL-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.45
Rot. Bonds1

About (6-bromoquinolin-3-yl) carbamate

(6-bromoquinolin-3-yl) carbamate (PubChem CID 175521488) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is (6-bromoquinolin-3-yl) carbamate.

Molecular Properties

Compound Name(6-bromoquinolin-3-yl) carbamate
PubChem CID175521488
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name(6-bromoquinolin-3-yl) carbamate
SMILESNC(=O)Oc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C10H7BrN2O2/c11-7-1-2-9-6(3-7)4-8(5-13-9)15-10(12)14/h1-5H,(H2,12,14)
InChIKeySTNDLHCEKUDBEL-UHFFFAOYSA-N
XLogP2.45
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromoquinolin-3-yl)oxyacetic acid
CID 171649153
(8-bromoquinolin-3-yl) carbamate
CID 175146907
(2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol
CID 168916570
2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid
CID 168916647
3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid
CID 89443577
2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide
CID 67322358
(3,5-dibromophenyl) carbamate
CID 175177777
[4-(4-bromophenyl)phenyl] carbamate
CID 151826430
4-bromo-2-quinolin-3-yloxybenzoic acid
CID 107387489
6-(6-bromonaphthalen-2-yl)oxypyridine-3-carboxamide
CID 60704687
6-bromo-3-(trifluoromethyl)quinoline
CID 150537973
6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline
CID 136532737

Frequently Asked Questions

What is the IUPAC name of (6-bromoquinolin-3-yl) carbamate?
The IUPAC name of (6-bromoquinolin-3-yl) carbamate (CID 175521488) is (6-bromoquinolin-3-yl) carbamate.
What is the SMILES notation for (6-bromoquinolin-3-yl) carbamate?
The canonical SMILES for (6-bromoquinolin-3-yl) carbamate is NC(=O)Oc1cnc2ccc(Br)cc2c1.
What is the InChIKey of (6-bromoquinolin-3-yl) carbamate?
The InChIKey is STNDLHCEKUDBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-1-2-9-6(3-7)4-8(5-13-9)15-10(12)14/h1-5H,(H2,12,14).
What are the key properties of (6-bromoquinolin-3-yl) carbamate?
(6-bromoquinolin-3-yl) carbamate has a molecular weight of 267.08 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromoquinolin-3-yl) carbamate is sourced from PubChem (CID 175521488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).