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

C18H20N2S — CID 43731487

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine
SMILESCc1cc(C(C)Nc2ccc(C)c3ncccc23)c(C)s1
InChIInChI=1S/C18H20N2S/c1-11-7-8-17(15-6-5-9-19-18(11)15)20-13(3)16-10-12(2)21-14(16)4/h5-10,13,20H,1-4H3
InChIKeyMHDGQAHDJSSOIO-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.39
Rot. Bonds3

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

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine (PubChem CID 43731487) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine
PubChem CID43731487
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine
SMILESCc1cc(C(C)Nc2ccc(C)c3ncccc23)c(C)s1
InChIInChI=1S/C18H20N2S/c1-11-7-8-17(15-6-5-9-19-18(11)15)20-13(3)16-10-12(2)21-14(16)4/h5-10,13,20H,1-4H3
InChIKeyMHDGQAHDJSSOIO-UHFFFAOYSA-N
XLogP5.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine
CID 43103063
N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine
CID 43731599
8-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 115928670
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676363
N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 63445661
8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43731624
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline
CID 62867709
2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43683002
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine
CID 65484697
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
CID 61076982
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079622

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine (CID 43731487) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine is Cc1cc(C(C)Nc2ccc(C)c3ncccc23)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine?
The InChIKey is MHDGQAHDJSSOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-11-7-8-17(15-6-5-9-19-18(11)15)20-13(3)16-10-12(2)21-14(16)4/h5-10,13,20H,1-4H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine has a molecular weight of 296.44 g/mol, XLogP of 5.39, 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]-8-methylquinolin-5-amine is sourced from PubChem (CID 43731487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).