1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine

C18H20N2S — CID 104997344

IUPAC1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine
SMILESCCc1ccsc1C(Cc1ccnc2ccccc12)NC
InChIInChI=1S/C18H20N2S/c1-3-13-9-11-21-18(13)17(19-2)12-14-8-10-20-16-7-5-4-6-15(14)16/h4-11,17,19H,3,12H2,1-2H3
InChIKeyDLVNNNXXZPLCRV-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.36
Rot. Bonds5

About 1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine

1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine (PubChem CID 104997344) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine
PubChem CID104997344
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine
SMILESCCc1ccsc1C(Cc1ccnc2ccccc12)NC
InChIInChI=1S/C18H20N2S/c1-3-13-9-11-21-18(13)17(19-2)12-14-8-10-20-16-7-5-4-6-15(14)16/h4-11,17,19H,3,12H2,1-2H3
InChIKeyDLVNNNXXZPLCRV-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 115787080
[1-(3-methoxythiophen-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105316397
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273
1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine
CID 104997455
4-(2-ethylbutyl)quinoline
CID 143495355
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
N,4-dimethyl-1-quinolin-4-ylhexan-2-amine
CID 104997356
2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 105037791
1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798023
[1-(3-ethylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324523
3-ethyl-3-methoxy-N-methyl-1-quinolin-4-ylpentan-2-amine
CID 116760813
1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
CID 79973815

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine (CID 104997344) is 1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine is CCc1ccsc1C(Cc1ccnc2ccccc12)NC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine?
The InChIKey is DLVNNNXXZPLCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-13-9-11-21-18(13)17(19-2)12-14-8-10-20-16-7-5-4-6-15(14)16/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine?
1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine has a molecular weight of 296.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-N-methyl-2-quinolin-4-ylethanamine is sourced from PubChem (CID 104997344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).