N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine

C16H16BrN3O — CID 107357164

IUPACN-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2n1)c1occc1Br
InChIInChI=1S/C16H16BrN3O/c1-2-8-18-15(16-11(17)7-9-21-16)14-10-19-12-5-3-4-6-13(12)20-14/h3-7,9-10,15,18H,2,8H2,1H3
InChIKeyVAFVAIQNSYYJIG-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.07
Rot. Bonds5

About N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine

N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine (PubChem CID 107357164) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine
PubChem CID107357164
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC NameN-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2n1)c1occc1Br
InChIInChI=1S/C16H16BrN3O/c1-2-8-18-15(16-11(17)7-9-21-16)14-10-19-12-5-3-4-6-13(12)20-14/h3-7,9-10,15,18H,2,8H2,1H3
InChIKeyVAFVAIQNSYYJIG-UHFFFAOYSA-N
XLogP4.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-1-quinoxalin-2-ylethyl]propan-1-amine
CID 107357381
N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
CID 107356998
N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
CID 63942460
N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444901
N-[(3-bromofuran-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 63941663
N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 115861666
N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106692103
N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 115861459
N-[(3-bromofuran-2-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115861594
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357477
N-[1-benzothiophen-3-yl-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861242

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine (CID 107357164) is N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine is CCCNC(c1cnc2ccccc2n1)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine?
The InChIKey is VAFVAIQNSYYJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-2-8-18-15(16-11(17)7-9-21-16)14-10-19-12-5-3-4-6-13(12)20-14/h3-7,9-10,15,18H,2,8H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine?
N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine has a molecular weight of 346.23 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 107357164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).