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

C9H10INO — CID 129285930

IUPAC3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESO=c1c(I)c[nH]c2c1CCCC2
InChIInChI=1S/C9H10INO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h5H,1-4H2,(H,11,12)
InChIKeyUVOPPCTUXMHOCX-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.86
Rot. Bonds

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

3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 129285930) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID129285930
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESO=c1c(I)c[nH]c2c1CCCC2
InChIInChI=1S/C9H10INO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h5H,1-4H2,(H,11,12)
InChIKeyUVOPPCTUXMHOCX-UHFFFAOYSA-N
XLogP1.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.86
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-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 129285930) is 3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one is O=c1c(I)c[nH]c2c1CCCC2.
What is the InChIKey of 3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is UVOPPCTUXMHOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h5H,1-4H2,(H,11,12).
What are the key properties of 3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one?
3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 275.09 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 129285930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).