N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine

C16H16BrN3S — CID 79590361

IUPACN-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2nccnc2c1)c1cscc1Br
InChIInChI=1S/C16H16BrN3S/c1-2-5-20-16(12-9-21-10-13(12)17)11-3-4-14-15(8-11)19-7-6-18-14/h3-4,6-10,16,20H,2,5H2,1H3
InChIKeyFOSYUTVGJWRNRA-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.54
Rot. Bonds5

About N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine

N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine (PubChem CID 79590361) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine
PubChem CID79590361
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC NameN-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2nccnc2c1)c1cscc1Br
InChIInChI=1S/C16H16BrN3S/c1-2-5-20-16(12-9-21-10-13(12)17)11-3-4-14-15(8-11)19-7-6-18-14/h3-4,6-10,16,20H,2,5H2,1H3
InChIKeyFOSYUTVGJWRNRA-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-3-yl)-(3,4-difluorophenyl)methyl]propan-1-amine
CID 79596511
N-[(3-bromo-4-methoxyphenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 105010525
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
CID 79595968
N-[(4-bromothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propan-1-amine
CID 105010416
N-[(4-bromothiophen-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 105010828
N-[(4-bromothiophen-3-yl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530960
N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine
CID 114687811
N-[(4-bromothiophen-3-yl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 81491587
N-[(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 105010546
N-[(4-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 107968705
N-[(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 105010456
N-[(4-bromothiophen-3-yl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105166826

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine (CID 79590361) is N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine is CCCNC(c1ccc2nccnc2c1)c1cscc1Br.
What is the InChIKey of N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine?
The InChIKey is FOSYUTVGJWRNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c1-2-5-20-16(12-9-21-10-13(12)17)11-3-4-14-15(8-11)19-7-6-18-14/h3-4,6-10,16,20H,2,5H2,1H3.
What are the key properties of N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine?
N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine has a molecular weight of 362.30 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine is sourced from PubChem (CID 79590361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).