N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine

C18H20N2S — CID 105172657

IUPACN-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1ccc2cccnc2c1
InChIInChI=1S/C18H20N2S/c1-19-17(8-2-6-16-7-4-12-21-16)15-10-9-14-5-3-11-20-18(14)13-15/h3-5,7,9-13,17,19H,2,6,8H2,1H3
InChIKeyYUCNGQNRZYMRBN-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.58
Rot. Bonds6

About N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine

N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105172657) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
PubChem CID105172657
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1ccc2cccnc2c1
InChIInChI=1S/C18H20N2S/c1-19-17(8-2-6-16-7-4-12-21-16)15-10-9-14-5-3-11-20-18(14)13-15/h3-5,7,9-13,17,19H,2,6,8H2,1H3
InChIKeyYUCNGQNRZYMRBN-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-quinolin-6-yl-4-thiophen-2-ylbutan-1-amine
CID 105172395
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382
1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146730
1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170024
N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine
CID 81228674
1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178716
3-methoxy-N-methyl-1-quinolin-7-ylbutan-1-amine
CID 113391406
1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105188622
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
N-methyl-1-(3-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 55236710

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine (CID 105172657) is N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)c1ccc2cccnc2c1.
What is the InChIKey of N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is YUCNGQNRZYMRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-19-17(8-2-6-16-7-4-12-21-16)15-10-9-14-5-3-11-20-18(14)13-15/h3-5,7,9-13,17,19H,2,6,8H2,1H3.
What are the key properties of N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine?
N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105172657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).