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

C11H14INO — CID 129285929

IUPAC3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1I)CCC(C)C2
InChIInChI=1S/C11H14INO/c1-6-3-4-8-9(5-6)13-7(2)10(12)11(8)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyRHJTYYULIYXNGS-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.41
Rot. Bonds

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

3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 129285929) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID129285929
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1I)CCC(C)C2
InChIInChI=1S/C11H14INO/c1-6-3-4-8-9(5-6)13-7(2)10(12)11(8)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyRHJTYYULIYXNGS-UHFFFAOYSA-N
XLogP2.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.41
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 3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 129285929) is 3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1[nH]c2c(c(=O)c1I)CCC(C)C2.
What is the InChIKey of 3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is RHJTYYULIYXNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c1-6-3-4-8-9(5-6)13-7(2)10(12)11(8)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 303.14 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 129285929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).