[2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

C20H17BrN2O3 — CID 2129067

IUPAC[2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
SMILESCCNC(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C20H17BrN2O3/c1-2-22-19(24)12-26-20(25)16-11-18(13-6-5-7-14(21)10-13)23-17-9-4-3-8-15(16)17/h3-11H,2,12H2,1H3,(H,22,24)
InChIKeyZDEBWTGCCKVOAS-UHFFFAOYSA-N
MW413.27 g/mol
LogP3.96
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

[2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate (PubChem CID 2129067) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
PubChem CID2129067
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
SMILESCCNC(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C20H17BrN2O3/c1-2-22-19(24)12-26-20(25)16-11-18(13-6-5-7-14(21)10-13)23-17-9-4-3-8-15(16)17/h3-11H,2,12H2,1H3,(H,22,24)
InChIKeyZDEBWTGCCKVOAS-UHFFFAOYSA-N
XLogP3.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2364327
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 3538824
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 23739845
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
(2,4-dichlorophenyl)methyl 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2435710
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135809736
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2092256

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate (CID 2129067) is [2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate is CCNC(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate?
The InChIKey is ZDEBWTGCCKVOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-2-22-19(24)12-26-20(25)16-11-18(13-6-5-7-14(21)10-13)23-17-9-4-3-8-15(16)17/h3-11H,2,12H2,1H3,(H,22,24).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate?
[2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate has a molecular weight of 413.27 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2129067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).