N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine

C16H15IN2S — CID 105021278

IUPACN-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine
SMILESCCNC(c1csc(I)c1)c1cccc2cccnc12
InChIInChI=1S/C16H15IN2S/c1-2-18-16(12-9-14(17)20-10-12)13-7-3-5-11-6-4-8-19-15(11)13/h3-10,16,18H,2H2,1H3
InChIKeyGHVZLLLSGGKZKG-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.60
Rot. Bonds4

About N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine

N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine (PubChem CID 105021278) has the molecular formula C16H15IN2S and a molecular weight of 394.28 g/mol. Its IUPAC name is N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine
PubChem CID105021278
Molecular FormulaC16H15IN2S
Molecular Weight394.28 g/mol
Exact Mass394.00
IUPAC NameN-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine
SMILESCCNC(c1csc(I)c1)c1cccc2cccnc12
InChIInChI=1S/C16H15IN2S/c1-2-18-16(12-9-14(17)20-10-12)13-7-3-5-11-6-4-8-19-15(11)13/h3-10,16,18H,2H2,1H3
InChIKeyGHVZLLLSGGKZKG-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 105155523
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
CID 79693571
N-[(5-iodothiophen-3-yl)-isoquinolin-5-ylmethyl]propan-1-amine
CID 115853076
1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105172538
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine
CID 105155395
N-[1-benzothiophen-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693289
N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine
CID 81231091
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183
N-[(4-bromothiophen-2-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 81228406
N-ethyl-2,2-dimethyl-1-quinolin-8-ylbutan-1-amine
CID 105021242
1-(5-iodothiophen-3-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 79692934
N-[(5-iodothiophen-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 79693662

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine?
The IUPAC name of N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine (CID 105021278) is N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine is CCNC(c1csc(I)c1)c1cccc2cccnc12.
What is the InChIKey of N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine?
The InChIKey is GHVZLLLSGGKZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2S/c1-2-18-16(12-9-14(17)20-10-12)13-7-3-5-11-6-4-8-19-15(11)13/h3-10,16,18H,2H2,1H3.
What are the key properties of N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine?
N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine has a molecular weight of 394.28 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodothiophen-3-yl)-quinolin-8-ylmethyl]ethanamine is sourced from PubChem (CID 105021278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).