1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C17H20N2OS — CID 162374448

IUPAC1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(CN)s3)cc2CCC1C
InChIInChI=1S/C17H20N2OS/c1-11-3-4-13-9-14(17-8-6-15(10-18)21-17)5-7-16(13)19(11)12(2)20/h5-9,11H,3-4,10,18H2,1-2H3
InChIKeyIDRZFLFKWMWHDX-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.56
Rot. Bonds2

About 1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 162374448) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID162374448
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(CN)s3)cc2CCC1C
InChIInChI=1S/C17H20N2OS/c1-11-3-4-13-9-14(17-8-6-15(10-18)21-17)5-7-16(13)19(11)12(2)20/h5-9,11H,3-4,10,18H2,1-2H3
InChIKeyIDRZFLFKWMWHDX-UHFFFAOYSA-N
XLogP3.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 162374448) is 1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3ccc(CN)s3)cc2CCC1C.
What is the InChIKey of 1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is IDRZFLFKWMWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-3-4-13-9-14(17-8-6-15(10-18)21-17)5-7-16(13)19(11)12(2)20/h5-9,11H,3-4,10,18H2,1-2H3.
What are the key properties of 1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 300.43 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(aminomethyl)thiophen-2-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 162374448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).