2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid

C19H26BrN5O2 — CID 68505498

IUPAC2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCN1CCN(c2cnc3ccc(Br)cc3n2)CC1)C(=O)O
InChIInChI=1S/C19H26BrN5O2/c1-19(2,3)25(18(26)27)11-8-23-6-9-24(10-7-23)17-13-21-15-5-4-14(20)12-16(15)22-17/h4-5,12-13H,6-11H2,1-3H3,(H,26,27)
InChIKeyHEVAPBRCEHOEDM-UHFFFAOYSA-N
MW436.35 g/mol
LogP3.29
Rot. Bonds4

About 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid

2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid (PubChem CID 68505498) has the molecular formula C19H26BrN5O2 and a molecular weight of 436.35 g/mol. Its IUPAC name is 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid
PubChem CID68505498
Molecular FormulaC19H26BrN5O2
Molecular Weight436.35 g/mol
Exact Mass435.13
IUPAC Name2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCN1CCN(c2cnc3ccc(Br)cc3n2)CC1)C(=O)O
InChIInChI=1S/C19H26BrN5O2/c1-19(2,3)25(18(26)27)11-8-23-6-9-24(10-7-23)17-13-21-15-5-4-14(20)12-16(15)22-17/h4-5,12-13H,6-11H2,1-3H3,(H,26,27)
InChIKeyHEVAPBRCEHOEDM-UHFFFAOYSA-N
XLogP3.29
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 9-(7-bromoquinoxalin-2-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 175739710
1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 68504194
1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 68506217
but-2-enedioic acid;N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline
CID 70532040
tert-butyl 4-(7-bromoquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[7-[4-(3,3-dimethyl-2-oxobutyl)phenoxy]quinoxalin-2-yl]piperazine-1-carboxylate;1-(4-hydroxyphenyl)-3,3-dimethylbutan-2-one;methane
CID 161242631
4-[1-(7-bromoquinoxalin-2-yl)azetidin-3-yl]morpholine
CID 175512014
4-(7-bromoquinoxalin-2-yl)morpholine;methane;3-morpholin-4-ylquinoxaline-6-carbaldehyde
CID 161351769
ethyl 2-[4-(6-bromoquinolin-2-yl)-1,4-diazepan-1-yl]acetate
CID 133346412
5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053623
2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol
CID 67476073
(2-amino-2-oxoethyl)-[2-(1-quinoxalin-2-ylpiperidin-4-yl)ethyl]carbamic acid
CID 67136648
N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide
CID 171702415

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid (CID 68505498) is 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCN1CCN(c2cnc3ccc(Br)cc3n2)CC1)C(=O)O.
What is the InChIKey of 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid?
The InChIKey is HEVAPBRCEHOEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN5O2/c1-19(2,3)25(18(26)27)11-8-23-6-9-24(10-7-23)17-13-21-15-5-4-14(20)12-16(15)22-17/h4-5,12-13H,6-11H2,1-3H3,(H,26,27).
What are the key properties of 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid?
2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid has a molecular weight of 436.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-bromoquinoxalin-2-yl)piperazin-1-yl]ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 68505498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).