ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate

C19H16BrNO2 — CID 123747455

IUPACethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate
SMILESCCOC(=O)Cc1cnc2c(Br)cccc2c1-c1ccccc1
InChIInChI=1S/C19H16BrNO2/c1-2-23-17(22)11-14-12-21-19-15(9-6-10-16(19)20)18(14)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3
InChIKeySICUGZGBVUAZIR-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.77
Rot. Bonds4

About ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate

ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate (PubChem CID 123747455) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate
PubChem CID123747455
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Nameethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate
SMILESCCOC(=O)Cc1cnc2c(Br)cccc2c1-c1ccccc1
InChIInChI=1S/C19H16BrNO2/c1-2-23-17(22)11-14-12-21-19-15(9-6-10-16(19)20)18(14)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3
InChIKeySICUGZGBVUAZIR-UHFFFAOYSA-N
XLogP4.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetate
CID 146289919
ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate
CID 13373699
ethyl 2-(8-amino-3-bromoquinolin-4-yl)acetate
CID 19592758
ethyl 2-[7-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetate
CID 118986537
ethyl 2-(3-bromo-8-nitroquinolin-4-yl)acetate
CID 19592526
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252
ethyl 3-oxo-3-(3-phenylthieno[2,3-b]pyridin-2-yl)propanoate
CID 23585316
ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-(2-phenyl-1H-imidazol-5-yl)acetate
CID 141122236
ethyl 2-[3-bromo-2-(3-chloropropyl)phenyl]acetate
CID 134632812
ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate (CID 123747455) is ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate is CCOC(=O)Cc1cnc2c(Br)cccc2c1-c1ccccc1.
What is the InChIKey of ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate?
The InChIKey is SICUGZGBVUAZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-2-23-17(22)11-14-12-21-19-15(9-6-10-16(19)20)18(14)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3.
What are the key properties of ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate?
ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate has a molecular weight of 370.25 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-bromo-4-phenylquinolin-3-yl)acetate is sourced from PubChem (CID 123747455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).