8-iodo-3-methoxy-1H-quinolin-2-one

C10H8INO2 — CID 68636812

IUPAC8-iodo-3-methoxy-1H-quinolin-2-one
SMILESCOc1cc2cccc(I)c2[nH]c1=O
InChIInChI=1S/C10H8INO2/c1-14-8-5-6-3-2-4-7(11)9(6)12-10(8)13/h2-5H,1H3,(H,12,13)
InChIKeyFMSQNGQVNMLAAC-UHFFFAOYSA-N
MW301.08 g/mol
LogP2.14
Rot. Bonds1

About 8-iodo-3-methoxy-1H-quinolin-2-one

8-iodo-3-methoxy-1H-quinolin-2-one (PubChem CID 68636812) has the molecular formula C10H8INO2 and a molecular weight of 301.08 g/mol. Its IUPAC name is 8-iodo-3-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name8-iodo-3-methoxy-1H-quinolin-2-one
PubChem CID68636812
Molecular FormulaC10H8INO2
Molecular Weight301.08 g/mol
Exact Mass300.96
IUPAC Name8-iodo-3-methoxy-1H-quinolin-2-one
SMILESCOc1cc2cccc(I)c2[nH]c1=O
InChIInChI=1S/C10H8INO2/c1-14-8-5-6-3-2-4-7(11)9(6)12-10(8)13/h2-5H,1H3,(H,12,13)
InChIKeyFMSQNGQVNMLAAC-UHFFFAOYSA-N
XLogP2.14
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-3-methoxy-1H-quinolin-2-one?
The IUPAC name of 8-iodo-3-methoxy-1H-quinolin-2-one (CID 68636812) is 8-iodo-3-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 8-iodo-3-methoxy-1H-quinolin-2-one?
The canonical SMILES for 8-iodo-3-methoxy-1H-quinolin-2-one is COc1cc2cccc(I)c2[nH]c1=O.
What is the InChIKey of 8-iodo-3-methoxy-1H-quinolin-2-one?
The InChIKey is FMSQNGQVNMLAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO2/c1-14-8-5-6-3-2-4-7(11)9(6)12-10(8)13/h2-5H,1H3,(H,12,13).
What are the key properties of 8-iodo-3-methoxy-1H-quinolin-2-one?
8-iodo-3-methoxy-1H-quinolin-2-one has a molecular weight of 301.08 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-3-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 68636812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).