1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine

C16H20BrN3S — CID 63778546

IUPAC1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine
SMILESCC(N)C(c1ccc(Br)s1)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H20BrN3S/c1-11(18)16(14-7-8-15(17)21-14)20-10-9-19(2)12-5-3-4-6-13(12)20/h3-8,11,16H,9-10,18H2,1-2H3
InChIKeyFIRCGRPACOTZIX-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.86
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine

1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine (PubChem CID 63778546) has the molecular formula C16H20BrN3S and a molecular weight of 366.33 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine
PubChem CID63778546
Molecular FormulaC16H20BrN3S
Molecular Weight366.33 g/mol
Exact Mass365.06
IUPAC Name1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine
SMILESCC(N)C(c1ccc(Br)s1)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H20BrN3S/c1-11(18)16(14-7-8-15(17)21-14)20-10-9-19(2)12-5-3-4-6-13(12)20/h3-8,11,16H,9-10,18H2,1-2H3
InChIKeyFIRCGRPACOTZIX-UHFFFAOYSA-N
XLogP3.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine (CID 63778546) is 1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine is CC(N)C(c1ccc(Br)s1)N1CCN(C)c2ccccc21.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine?
The InChIKey is FIRCGRPACOTZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3S/c1-11(18)16(14-7-8-15(17)21-14)20-10-9-19(2)12-5-3-4-6-13(12)20/h3-8,11,16H,9-10,18H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine?
1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine has a molecular weight of 366.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-amine is sourced from PubChem (CID 63778546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).