2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate

C12H10BrNO3 — CID 174361318

IUPAC2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate
SMILESO=COCCc1c[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C12H10BrNO3/c13-9-1-2-11-10(5-9)12(16)8(6-14-11)3-4-17-7-15/h1-2,5-7H,3-4H2,(H,14,16)
InChIKeyTYMJRQGZKFZBTB-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.01
Rot. Bonds4

About 2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate

2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate (PubChem CID 174361318) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate.

Molecular Properties

Compound Name2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate
PubChem CID174361318
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate
SMILESO=COCCc1c[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C12H10BrNO3/c13-9-1-2-11-10(5-9)12(16)8(6-14-11)3-4-17-7-15/h1-2,5-7H,3-4H2,(H,14,16)
InChIKeyTYMJRQGZKFZBTB-UHFFFAOYSA-N
XLogP2.01
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
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

Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 689824
6-bromo-3-pentanoyl-1H-quinolin-4-one
CID 44560520
6-Bromo-4-hydroxyquinoline-3-carboxylic acid
CID 693203
2-(Aminomethyl)-6-bromo-4(1h)-quinolinone
CID 83527588
6-Bromo-1,2,3,4-tetrahydroquinolin-4-one
CID 759447
6-Bromo-1,4-dihydroquinolin-4-one
CID 12403680
6-Bromo-8-methyl-1,4-dihydroquinolin-4-one
CID 43531989
6-Bromo-8-fluoroquinolin-4-ol
CID 43532004
2-(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 82251611
3-[(Dimethylamino)methyl]-6-bromo-2-methylquinolin-4-ol
CID 702810
Ethyl 6-bromo-4-oxo-1(4H)-quinolinecarboxylate
CID 11162250
3-Acetyl-6-bromoquinolin-4(1H)-one
CID 14913141

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate?
The IUPAC name of 2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate (CID 174361318) is 2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate.
What is the SMILES notation for 2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate?
The canonical SMILES for 2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate is O=COCCc1c[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate?
The InChIKey is TYMJRQGZKFZBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c13-9-1-2-11-10(5-9)12(16)8(6-14-11)3-4-17-7-15/h1-2,5-7H,3-4H2,(H,14,16).
What are the key properties of 2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate?
2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate has a molecular weight of 296.12 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxo-1H-quinolin-3-yl)ethyl formate is sourced from PubChem (CID 174361318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).