N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine

C15H14ClN3S — CID 105173375

IUPACN-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1cccc2nccnc12
InChIInChI=1S/C15H14ClN3S/c1-2-17-15(12-6-7-13(16)20-12)10-4-3-5-11-14(10)19-9-8-18-11/h3-9,15,17H,2H2,1H3
InChIKeyFPXOUGRYSOAZHR-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.04
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine

N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine (PubChem CID 105173375) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
PubChem CID105173375
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)c1cccc2nccnc12
InChIInChI=1S/C15H14ClN3S/c1-2-17-15(12-6-7-13(16)20-12)10-4-3-5-11-14(10)19-9-8-18-11/h3-9,15,17H,2H2,1H3
InChIKeyFPXOUGRYSOAZHR-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylthiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105161984
N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
CID 105172958
N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 78917810
N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 43492027
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(2-chloro-4,5-dimethylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 115483998
N-[(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 107361665
N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
CID 105077278
N-[(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804284
N-[(2-bromofuran-3-yl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 106851640
N-ethyl-3-methyl-1-quinoxalin-5-ylpentan-1-amine
CID 105138311
N-[(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105173432

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine (CID 105173375) is N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine is CCNC(c1ccc(Cl)s1)c1cccc2nccnc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine?
The InChIKey is FPXOUGRYSOAZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-2-17-15(12-6-7-13(16)20-12)10-4-3-5-11-14(10)19-9-8-18-11/h3-9,15,17H,2H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine?
N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine has a molecular weight of 303.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine is sourced from PubChem (CID 105173375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).