3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone

C15H15NOS — CID 24820072

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H15NOS/c1-11-7-9-18-14(11)15(17)16-8-6-12-4-2-3-5-13(12)10-16/h2-5,7,9H,6,8,10H2,1H3
InChIKeyYMUJQTLORADHQS-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.26
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone (PubChem CID 24820072) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone
PubChem CID24820072
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H15NOS/c1-11-7-9-18-14(11)15(17)16-8-6-12-4-2-3-5-13(12)10-16/h2-5,7,9H,6,8,10H2,1H3
InChIKeyYMUJQTLORADHQS-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone (CID 24820072) is 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone?
The InChIKey is YMUJQTLORADHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-7-9-18-14(11)15(17)16-8-6-12-4-2-3-5-13(12)10-16/h2-5,7,9H,6,8,10H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone has a molecular weight of 257.36 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 24820072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).