N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine

C13H9Br2N3O — CID 62084324

IUPACN-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine
SMILESBrc1cc(CNc2ccc3nccnc3c2)oc1Br
InChIInChI=1S/C13H9Br2N3O/c14-10-6-9(19-13(10)15)7-18-8-1-2-11-12(5-8)17-4-3-16-11/h1-6,18H,7H2
InChIKeyDCOXYASHPUIXTC-UHFFFAOYSA-N
MW383.04 g/mol
LogP4.36
Rot. Bonds3

About N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine

N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine (PubChem CID 62084324) has the molecular formula C13H9Br2N3O and a molecular weight of 383.04 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine
PubChem CID62084324
Molecular FormulaC13H9Br2N3O
Molecular Weight383.04 g/mol
Exact Mass380.91
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine
SMILESBrc1cc(CNc2ccc3nccnc3c2)oc1Br
InChIInChI=1S/C13H9Br2N3O/c14-10-6-9(19-13(10)15)7-18-8-1-2-11-12(5-8)17-4-3-16-11/h1-6,18H,7H2
InChIKeyDCOXYASHPUIXTC-UHFFFAOYSA-N
XLogP4.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.04
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine 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

N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine
CID 54863499
N-[(4,5-dibromofuran-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804067
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine
CID 102834356
4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 62086062
N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline
CID 62084803
N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine
CID 83230495
3-bromo-N-[(4,5-dibromofuran-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107336097
N-[(4,5-dibromofuran-2-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 62083420
5-[(quinoxalin-6-ylamino)methyl]furan-3-carboxylic acid
CID 104608670
N-[(4,5-dibromofuran-2-yl)methyl]-3-(imidazol-1-ylmethyl)aniline
CID 62083428
N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 62084831
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine
CID 62086085

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine (CID 62084324) is N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine is Brc1cc(CNc2ccc3nccnc3c2)oc1Br.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine?
The InChIKey is DCOXYASHPUIXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2N3O/c14-10-6-9(19-13(10)15)7-18-8-1-2-11-12(5-8)17-4-3-16-11/h1-6,18H,7H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine?
N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine has a molecular weight of 383.04 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 62084324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).