7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C12H16INO — CID 129285928

IUPAC7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCCC1CCc2c([nH]c(C)c(I)c2=O)C1
InChIInChI=1S/C12H16INO/c1-3-8-4-5-9-10(6-8)14-7(2)11(13)12(9)15/h8H,3-6H2,1-2H3,(H,14,15)
InChIKeyGSHBOPRODFBXPA-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.80
Rot. Bonds1

About 7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 129285928) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID129285928
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCCC1CCc2c([nH]c(C)c(I)c2=O)C1
InChIInChI=1S/C12H16INO/c1-3-8-4-5-9-10(6-8)14-7(2)11(13)12(9)15/h8H,3-6H2,1-2H3,(H,14,15)
InChIKeyGSHBOPRODFBXPA-UHFFFAOYSA-N
XLogP2.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 129285928) is 7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is CCC1CCc2c([nH]c(C)c(I)c2=O)C1.
What is the InChIKey of 7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is GSHBOPRODFBXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-3-8-4-5-9-10(6-8)14-7(2)11(13)12(9)15/h8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 317.17 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-iodo-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 129285928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).