(2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide

C19H16Br2N2O2 — CID 26011285

IUPAC(2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](Oc1c(Br)cc(Br)c2cccnc12)c1ccccc1
InChIInChI=1S/C19H16Br2N2O2/c1-23(2)19(24)17(12-7-4-3-5-8-12)25-18-15(21)11-14(20)13-9-6-10-22-16(13)18/h3-11,17H,1-2H3/t17-/m0/s1
InChIKeyGIYWUNAKKQZDGE-KRWDZBQOSA-N
MW464.16 g/mol
LogP4.97
Rot. Bonds4

About (2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide

(2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide (PubChem CID 26011285) has the molecular formula C19H16Br2N2O2 and a molecular weight of 464.16 g/mol. Its IUPAC name is (2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
PubChem CID26011285
Molecular FormulaC19H16Br2N2O2
Molecular Weight464.16 g/mol
Exact Mass461.96
IUPAC Name(2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](Oc1c(Br)cc(Br)c2cccnc12)c1ccccc1
InChIInChI=1S/C19H16Br2N2O2/c1-23(2)19(24)17(12-7-4-3-5-8-12)25-18-15(21)11-14(20)13-9-6-10-22-16(13)18/h3-11,17H,1-2H3/t17-/m0/s1
InChIKeyGIYWUNAKKQZDGE-KRWDZBQOSA-N
XLogP4.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.16
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 26011286
5,7-dibromo-8-methoxyquinoline
CID 10805403
[4-[2-(dimethylamino)-2-oxo-1-phenylethoxy]phenoxy]boronic acid
CID 150984918
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
N-[2-(5,7-dibromoquinolin-8-yl)oxypropyl]butan-2-amine
CID 63516068
(2R)-2-(1-formylnaphthalen-2-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 9415213
2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid
CID 107140830
(2R)-N-(1,3-benzodioxol-5-yl)-2-(5,7-dibromoquinolin-8-yl)oxypropanamide
CID 40811471
2-(5-aminoquinolin-8-yl)oxy-N,N-dimethylpropanamide
CID 60865141
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate
CID 21069694
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide (CID 26011285) is (2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)[C@@H](Oc1c(Br)cc(Br)c2cccnc12)c1ccccc1.
What is the InChIKey of (2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide?
The InChIKey is GIYWUNAKKQZDGE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16Br2N2O2/c1-23(2)19(24)17(12-7-4-3-5-8-12)25-18-15(21)11-14(20)13-9-6-10-22-16(13)18/h3-11,17H,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide?
(2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide has a molecular weight of 464.16 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 26011285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).