N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine

C18H20N2S — CID 63445661

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine
SMILESCCc1ccc(C(C)Nc2ccc(C)c3ncccc23)s1
InChIInChI=1S/C18H20N2S/c1-4-14-8-10-17(21-14)13(3)20-16-9-7-12(2)18-15(16)6-5-11-19-18/h5-11,13,20H,4H2,1-3H3
InChIKeyOWSQRQGULVSULU-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.34
Rot. Bonds4

About N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine (PubChem CID 63445661) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine
PubChem CID63445661
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine
SMILESCCc1ccc(C(C)Nc2ccc(C)c3ncccc23)s1
InChIInChI=1S/C18H20N2S/c1-4-14-8-10-17(21-14)13(3)20-16-9-7-12(2)18-15(16)6-5-11-19-18/h5-11,13,20H,4H2,1-3H3
InChIKeyOWSQRQGULVSULU-UHFFFAOYSA-N
XLogP5.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 115928670
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine
CID 43731487
8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43731624
N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine
CID 43731599
N-(1-cyclopropylpropyl)-8-methylquinolin-5-amine
CID 64920537
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61333360
6-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 43674643
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-5-nitroaniline
CID 61334760
N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methyl-2-propoxyaniline
CID 63453205
N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648403
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
CID 55186067
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline
CID 114258374

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine (CID 63445661) is N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine is CCc1ccc(C(C)Nc2ccc(C)c3ncccc23)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine?
The InChIKey is OWSQRQGULVSULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-4-14-8-10-17(21-14)13(3)20-16-9-7-12(2)18-15(16)6-5-11-19-18/h5-11,13,20H,4H2,1-3H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine has a molecular weight of 296.44 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine is sourced from PubChem (CID 63445661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).