(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline

C14H13BrN2 — CID 53375541

IUPAC(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
SMILESBrc1cccc([C@@H]2CNc3ccccc3N2)c1
InChIInChI=1S/C14H13BrN2/c15-11-5-3-4-10(8-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-8,14,16-17H,9H2/t14-/m0/s1
InChIKeyLPBGZZIIFSCKDY-AWEZNQCLSA-N
MW289.18 g/mol
LogP4.03
Rot. Bonds1

About (2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline

(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 53375541) has the molecular formula C14H13BrN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID53375541
Molecular FormulaC14H13BrN2
Molecular Weight289.18 g/mol
Exact Mass288.03
IUPAC Name(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
SMILESBrc1cccc([C@@H]2CNc3ccccc3N2)c1
InChIInChI=1S/C14H13BrN2/c15-11-5-3-4-10(8-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-8,14,16-17H,9H2/t14-/m0/s1
InChIKeyLPBGZZIIFSCKDY-AWEZNQCLSA-N
XLogP4.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoxaline
CID 71271669
(2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 171063111
3-[(4R)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl]phenol
CID 40637861
4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 2771647
6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250
7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285777
6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
CID 82156513
6-(3-bromophenyl)piperidine-2,4-dione
CID 83825931
6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589767
2-(3-bromophenyl)-4-methylazetidine
CID 116822056
5-bromo-3-phenyl-2,3-dihydro-1H-indole
CID 177342618
2-(3-bromophenyl)-4-fluoropyrrolidine
CID 84728358

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of (2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline (CID 53375541) is (2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for (2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline is Brc1cccc([C@@H]2CNc3ccccc3N2)c1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is LPBGZZIIFSCKDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13BrN2/c15-11-5-3-4-10(8-11)14-9-16-12-6-1-2-7-13(12)17-14/h1-8,14,16-17H,9H2/t14-/m0/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline?
(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 289.18 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 53375541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).