N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine

C16H16N2S — CID 63991660

IUPACN-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine
SMILESCc1ccsc1C(C)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H16N2S/c1-11-7-8-19-16(11)12(2)18-14-9-13-5-3-4-6-15(13)17-10-14/h3-10,12,18H,1-2H3
InChIKeyQSGSGAUWDWSIPA-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.78
Rot. Bonds3

About N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine

N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine (PubChem CID 63991660) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine
PubChem CID63991660
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine
SMILESCc1ccsc1C(C)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H16N2S/c1-11-7-8-19-16(11)12(2)18-14-9-13-5-3-4-6-15(13)17-10-14/h3-10,12,18H,1-2H3
InChIKeyQSGSGAUWDWSIPA-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine (CID 63991660) is N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine is Cc1ccsc1C(C)Nc1cnc2ccccc2c1.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine?
The InChIKey is QSGSGAUWDWSIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-7-8-19-16(11)12(2)18-14-9-13-5-3-4-6-15(13)17-10-14/h3-10,12,18H,1-2H3.
What are the key properties of N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine?
N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine has a molecular weight of 268.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine is sourced from PubChem (CID 63991660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).