(8-bromoquinolin-3-yl) carbamate

C10H7BrN2O2 — CID 175146907

IUPAC(8-bromoquinolin-3-yl) carbamate
SMILESNC(=O)Oc1cnc2c(Br)cccc2c1
InChIInChI=1S/C10H7BrN2O2/c11-8-3-1-2-6-4-7(15-10(12)14)5-13-9(6)8/h1-5H,(H2,12,14)
InChIKeyYDSUKDFSTBXJMZ-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.45
Rot. Bonds1

About (8-bromoquinolin-3-yl) carbamate

(8-bromoquinolin-3-yl) carbamate (PubChem CID 175146907) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is (8-bromoquinolin-3-yl) carbamate.

Molecular Properties

Compound Name(8-bromoquinolin-3-yl) carbamate
PubChem CID175146907
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name(8-bromoquinolin-3-yl) carbamate
SMILESNC(=O)Oc1cnc2c(Br)cccc2c1
InChIInChI=1S/C10H7BrN2O2/c11-8-3-1-2-6-4-7(15-10(12)14)5-13-9(6)8/h1-5H,(H2,12,14)
InChIKeyYDSUKDFSTBXJMZ-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

(6-bromoquinolin-3-yl) carbamate
CID 175521488
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
4-[(8-bromoquinolin-3-yl)oxymethyl]-2-methyl-1,3-oxazole
CID 167788048
5-bromoacridine-4-carboxamide
CID 174361134
(4-bromo-1H-benzimidazol-2-yl) carbamate
CID 175381527
3-(8-bromoquinolin-3-yl)propanoic acid
CID 82667595
methyl 8-bromocinnoline-3-carboxylate
CID 131494996
8-bromoquinoline-2-carboxamide
CID 610197
(5-bromo-6-fluoro-2-pyridinyl) carbamate
CID 146241183
[4-bromo-1-(difluoromethyl)benzimidazol-2-yl] carbamate
CID 175381531
3,8-dibromocinnoline
CID 22314224
(3,5-dibromophenyl) carbamate
CID 175177777

Frequently Asked Questions

What is the IUPAC name of (8-bromoquinolin-3-yl) carbamate?
The IUPAC name of (8-bromoquinolin-3-yl) carbamate (CID 175146907) is (8-bromoquinolin-3-yl) carbamate.
What is the SMILES notation for (8-bromoquinolin-3-yl) carbamate?
The canonical SMILES for (8-bromoquinolin-3-yl) carbamate is NC(=O)Oc1cnc2c(Br)cccc2c1.
What is the InChIKey of (8-bromoquinolin-3-yl) carbamate?
The InChIKey is YDSUKDFSTBXJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-8-3-1-2-6-4-7(15-10(12)14)5-13-9(6)8/h1-5H,(H2,12,14).
What are the key properties of (8-bromoquinolin-3-yl) carbamate?
(8-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 (8-bromoquinolin-3-yl) carbamate is sourced from PubChem (CID 175146907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).