N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine

C18H20N2S — CID 62635651

IUPACN-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc3ncccc3c2)s1
InChIInChI=1S/C18H20N2S/c1-3-15(19-4-2)18-10-9-17(21-18)14-7-8-16-13(12-14)6-5-11-20-16/h5-12,15,19H,3-4H2,1-2H3
InChIKeyILDLGYBRQADYGN-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.02
Rot. Bonds5

About N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine

N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine (PubChem CID 62635651) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
PubChem CID62635651
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc3ncccc3c2)s1
InChIInChI=1S/C18H20N2S/c1-3-15(19-4-2)18-10-9-17(21-18)14-7-8-16-13(12-14)6-5-11-20-16/h5-12,15,19H,3-4H2,1-2H3
InChIKeyILDLGYBRQADYGN-UHFFFAOYSA-N
XLogP5.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine (CID 62635651) is N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine is CCNC(CC)c1ccc(-c2ccc3ncccc3c2)s1.
What is the InChIKey of N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine?
The InChIKey is ILDLGYBRQADYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-15(19-4-2)18-10-9-17(21-18)14-7-8-16-13(12-14)6-5-11-20-16/h5-12,15,19H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine?
N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 62635651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).