N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine

C17H18N2S — CID 43103063

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine
SMILESCc1cc(C(C)Nc2cccc3cccnc23)c(C)s1
InChIInChI=1S/C17H18N2S/c1-11-10-15(13(3)20-11)12(2)19-16-8-4-6-14-7-5-9-18-17(14)16/h4-10,12,19H,1-3H3
InChIKeyRIEZPKYUVYPBIG-UHFFFAOYSA-N
MW282.41 g/mol
LogP5.09
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine (PubChem CID 43103063) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine
PubChem CID43103063
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine
SMILESCc1cc(C(C)Nc2cccc3cccnc23)c(C)s1
InChIInChI=1S/C17H18N2S/c1-11-10-15(13(3)20-11)12(2)19-16-8-4-6-14-7-5-9-18-17(14)16/h4-10,12,19H,1-3H3
InChIKeyRIEZPKYUVYPBIG-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine
CID 43731487
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676363
2-[1-(quinolin-8-ylamino)ethyl]benzene-1,4-diol
CID 43191666
N-[1-(2,4-difluorophenyl)ethyl]quinolin-8-amine
CID 43191671
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
CID 61076982
N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
CID 63991411
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]quinolin-8-amine
CID 20851243
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide
CID 60933451
N-(1-cyclopropylethyl)quinolin-8-amine
CID 43191657

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine (CID 43103063) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine is Cc1cc(C(C)Nc2cccc3cccnc23)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine?
The InChIKey is RIEZPKYUVYPBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-11-10-15(13(3)20-11)12(2)19-16-8-4-6-14-7-5-9-18-17(14)16/h4-10,12,19H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine has a molecular weight of 282.41 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine is sourced from PubChem (CID 43103063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).