N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine

C16H15ClN2S — CID 78917810

IUPACN-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ncccc2c1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN2S/c1-2-18-16(14-7-8-15(17)20-14)12-5-6-13-11(10-12)4-3-9-19-13/h3-10,16,18H,2H2,1H3
InChIKeyMQQZCPFRVCCUCU-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.65
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine

N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine (PubChem CID 78917810) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine
PubChem CID78917810
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC NameN-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ncccc2c1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN2S/c1-2-18-16(14-7-8-15(17)20-14)12-5-6-13-11(10-12)4-3-9-19-13/h3-10,16,18H,2H2,1H3
InChIKeyMQQZCPFRVCCUCU-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105021397
N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
CID 78917639
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 63963933
N-[(4-butan-2-ylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 63507930
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
N-[2,3-dihydrofuran-5-yl(quinolin-6-yl)methyl]ethanamine
CID 102651527
N-[(5-chlorothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
CID 105173375
N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105172388
N-[(2-bromofuran-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 106858324
N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210398
N-ethyl-2,2-dimethoxy-1-quinolin-6-ylethanamine
CID 81232075

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine (CID 78917810) is N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine is CCNC(c1ccc2ncccc2c1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine?
The InChIKey is MQQZCPFRVCCUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-2-18-16(14-7-8-15(17)20-14)12-5-6-13-11(10-12)4-3-9-19-13/h3-10,16,18H,2H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine?
N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine has a molecular weight of 302.83 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine is sourced from PubChem (CID 78917810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).