2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one

C18H17NOS — CID 67680988

IUPAC2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one
SMILESCc1ccc2nc(C(=O)C(C)C)ccc2c1-c1cccs1
InChIInChI=1S/C18H17NOS/c1-11(2)18(20)15-9-7-13-14(19-15)8-6-12(3)17(13)16-5-4-10-21-16/h4-11H,1-3H3
InChIKeySSFNJZIDTWGHCB-UHFFFAOYSA-N
MW295.41 g/mol
LogP5.11
Rot. Bonds3

About 2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one

2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one (PubChem CID 67680988) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one
PubChem CID67680988
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one
SMILESCc1ccc2nc(C(=O)C(C)C)ccc2c1-c1cccs1
InChIInChI=1S/C18H17NOS/c1-11(2)18(20)15-9-7-13-14(19-15)8-6-12(3)17(13)16-5-4-10-21-16/h4-11H,1-3H3
InChIKeySSFNJZIDTWGHCB-UHFFFAOYSA-N
XLogP5.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one (CID 67680988) is 2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one is Cc1ccc2nc(C(=O)C(C)C)ccc2c1-c1cccs1.
What is the InChIKey of 2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one?
The InChIKey is SSFNJZIDTWGHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-11(2)18(20)15-9-7-13-14(19-15)8-6-12(3)17(13)16-5-4-10-21-16/h4-11H,1-3H3.
What are the key properties of 2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one?
2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one has a molecular weight of 295.41 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methyl-5-thiophen-2-ylquinolin-2-yl)propan-1-one is sourced from PubChem (CID 67680988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).