1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine

C15H13ClN2S — CID 62277076

IUPAC1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine
SMILESNC(Cc1ccc2ccccc2n1)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2S/c16-15-8-7-14(19-15)12(17)9-11-6-5-10-3-1-2-4-13(10)18-11/h1-8,12H,9,17H2
InChIKeyUBPJGUWHZGEHSC-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.19
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine

1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine (PubChem CID 62277076) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine
PubChem CID62277076
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine
SMILESNC(Cc1ccc2ccccc2n1)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2S/c16-15-8-7-14(19-15)12(17)9-11-6-5-10-3-1-2-4-13(10)18-11/h1-8,12H,9,17H2
InChIKeyUBPJGUWHZGEHSC-UHFFFAOYSA-N
XLogP4.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine
CID 61469363
1-(4-fluorophenyl)-2-quinolin-2-ylethanamine
CID 43118778
1-(2,5-dichlorophenyl)-2-quinolin-2-ylethanamine
CID 43118742
1-(4-methoxyphenyl)-2-quinolin-2-ylethanamine
CID 43118775
1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine
CID 105159187
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
1-(furan-2-yl)-2-quinolin-2-ylethanamine
CID 43118707
1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol
CID 107967248
1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine
CID 107989064
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
(2S)-2-amino-3-quinolin-2-ylpropanal;molecular hydrogen
CID 145052892
1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol
CID 107124923

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine (CID 62277076) is 1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine is NC(Cc1ccc2ccccc2n1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine?
The InChIKey is UBPJGUWHZGEHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-15-8-7-14(19-15)12(17)9-11-6-5-10-3-1-2-4-13(10)18-11/h1-8,12H,9,17H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine?
1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine has a molecular weight of 288.80 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine is sourced from PubChem (CID 62277076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).