1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine

C17H18N2S — CID 105021513

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCNC(c1ccc2cccnc2c1)c1cc(C)c(C)s1
InChIInChI=1S/C17H18N2S/c1-11-9-16(20-12(11)2)17(18-3)14-7-6-13-5-4-8-19-15(13)10-14/h4-10,17-18H,1-3H3
InChIKeyBCHFZDRFJNHGLX-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.22
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine

1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine (PubChem CID 105021513) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine
PubChem CID105021513
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCNC(c1ccc2cccnc2c1)c1cc(C)c(C)s1
InChIInChI=1S/C17H18N2S/c1-11-9-16(20-12(11)2)17(18-3)14-7-6-13-5-4-8-19-15(13)10-14/h4-10,17-18H,1-3H3
InChIKeyBCHFZDRFJNHGLX-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105020999
N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine
CID 105021478
N-methyl-1-quinolin-7-yl-1-(thiadiazol-5-yl)methanamine
CID 105172703
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-7-ylmethanamine
CID 106755701
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020135
N-methyl-1-(6-methyl-2-pyridinyl)-1-quinolin-7-ylmethanamine
CID 81231820
1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227882
1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227611
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 103444253
1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021623
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol
CID 115826735

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine (CID 105021513) is 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine is CNC(c1ccc2cccnc2c1)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine?
The InChIKey is BCHFZDRFJNHGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-11-9-16(20-12(11)2)17(18-3)14-7-6-13-5-4-8-19-15(13)10-14/h4-10,17-18H,1-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine?
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine is sourced from PubChem (CID 105021513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).