[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate

C18H15Br2NO4 — CID 23797480

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C18H15Br2NO4/c19-12-8-13(17(23)14(20)9-12)18(24)25-10-16(22)21-7-3-5-11-4-1-2-6-15(11)21/h1-2,4,6,8-9,23H,3,5,7,10H2
InChIKeyYGINWONLTOOJCI-UHFFFAOYSA-N
MW469.13 g/mol
LogP4.05
Rot. Bonds3

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate (PubChem CID 23797480) has the molecular formula C18H15Br2NO4 and a molecular weight of 469.13 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate
PubChem CID23797480
Molecular FormulaC18H15Br2NO4
Molecular Weight469.13 g/mol
Exact Mass466.94
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C18H15Br2NO4/c19-12-8-13(17(23)14(20)9-12)18(24)25-10-16(22)21-7-3-5-11-4-1-2-6-15(11)21/h1-2,4,6,8-9,23H,3,5,7,10H2
InChIKeyYGINWONLTOOJCI-UHFFFAOYSA-N
XLogP4.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.13
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629453
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823603
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 4693287
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888835
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754876
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-benzamidobenzoate
CID 7835824
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 7808503
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 7405655
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate (CID 23797480) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate is O=C(OCC(=O)N1CCCc2ccccc21)c1cc(Br)cc(Br)c1O.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate?
The InChIKey is YGINWONLTOOJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2NO4/c19-12-8-13(17(23)14(20)9-12)18(24)25-10-16(22)21-7-3-5-11-4-1-2-6-15(11)21/h1-2,4,6,8-9,23H,3,5,7,10H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate has a molecular weight of 469.13 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate is sourced from PubChem (CID 23797480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).