2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate

C12H9BrClNO2 — CID 174795213

IUPAC2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate
SMILESO=COCCc1cnc2ccc(Br)cc2c1Cl
InChIInChI=1S/C12H9BrClNO2/c13-9-1-2-11-10(5-9)12(14)8(6-15-11)3-4-17-7-16/h1-2,5-7H,3-4H2
InChIKeyUQGYSWPBYTVGAO-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.37
Rot. Bonds4

About 2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate

2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate (PubChem CID 174795213) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is 2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate
PubChem CID174795213
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC Name2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate
SMILESO=COCCc1cnc2ccc(Br)cc2c1Cl
InChIInChI=1S/C12H9BrClNO2/c13-9-1-2-11-10(5-9)12(14)8(6-15-11)3-4-17-7-16/h1-2,5-7H,3-4H2
InChIKeyUQGYSWPBYTVGAO-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dichloroquinolin-3-yl)ethyl formate
CID 174637327
2-(4-amino-6-chloro-1,5-naphthyridin-3-yl)ethyl formate
CID 174812553
2-(4-bromo-8-chloroquinolin-3-yl)ethyl formate
CID 174583198
2-(4-chloro-2-pyridinyl)ethyl formate
CID 174481007
4-amino-6-bromoquinoline-3-carbaldehyde
CID 144846091
4-chloro-3-(3-chloropropyl)-6-methoxyquinoline
CID 89139556
2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride
CID 174670065
2-(4-chloro-6-methylquinolin-3-yl)acetic acid
CID 84699091
3-(aminomethyl)-4-chloroquinolin-6-ol
CID 115026165
2-(6-bromo-3-nitroquinolin-4-yl)acetic acid
CID 104571308
6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline
CID 118022282
4-amino-6-bromoquinoline-3-carboxylic acid
CID 46397798

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate?
The IUPAC name of 2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate (CID 174795213) is 2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate.
What is the SMILES notation for 2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate?
The canonical SMILES for 2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate is O=COCCc1cnc2ccc(Br)cc2c1Cl.
What is the InChIKey of 2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate?
The InChIKey is UQGYSWPBYTVGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c13-9-1-2-11-10(5-9)12(14)8(6-15-11)3-4-17-7-16/h1-2,5-7H,3-4H2.
What are the key properties of 2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate?
2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate has a molecular weight of 314.57 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-chloroquinolin-3-yl)ethyl formate is sourced from PubChem (CID 174795213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).