3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline

C15H16BrN3 — CID 117030500

IUPAC3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline
SMILESCNc1cccc(N2CCNc3ccc(Br)cc32)c1
InChIInChI=1S/C15H16BrN3/c1-17-12-3-2-4-13(10-12)19-8-7-18-14-6-5-11(16)9-15(14)19/h2-6,9-10,17-18H,7-8H2,1H3
InChIKeyLOIUDGFCZMCJBC-UHFFFAOYSA-N
MW318.22 g/mol
LogP4.05
Rot. Bonds2

About 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline

3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline (PubChem CID 117030500) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline
PubChem CID117030500
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline
SMILESCNc1cccc(N2CCNc3ccc(Br)cc32)c1
InChIInChI=1S/C15H16BrN3/c1-17-12-3-2-4-13(10-12)19-8-7-18-14-6-5-11(16)9-15(14)19/h2-6,9-10,17-18H,7-8H2,1H3
InChIKeyLOIUDGFCZMCJBC-UHFFFAOYSA-N
XLogP4.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline 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

3-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline
CID 117031105
7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006928
4-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)benzoic acid
CID 117030520
4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006770
4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline
CID 117006745
4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 117007124
8-bromo-6-phenyl-1,3,4,5-tetrahydro-1,6-benzodiazocin-2-one
CID 79291188
6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline
CID 83515806
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
tert-butyl 7-bromo-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84645479
4-(3-bromophenyl)-1,2,3,6-tetrahydro-1,4-benzodiazocin-5-one
CID 117016072
2-(3-bromophenyl)-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene
CID 84608640

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline?
The IUPAC name of 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline (CID 117030500) is 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline.
What is the SMILES notation for 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline?
The canonical SMILES for 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline is CNc1cccc(N2CCNc3ccc(Br)cc32)c1.
What is the InChIKey of 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline?
The InChIKey is LOIUDGFCZMCJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-17-12-3-2-4-13(10-12)19-8-7-18-14-6-5-11(16)9-15(14)19/h2-6,9-10,17-18H,7-8H2,1H3.
What are the key properties of 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline?
3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline has a molecular weight of 318.22 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline is sourced from PubChem (CID 117030500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).