3-iodo-3H-quinolin-4-one

C9H6INO — CID 67016422

IUPAC3-iodo-3H-quinolin-4-one
SMILESO=C1c2ccccc2N=CC1I
InChIInChI=1S/C9H6INO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h1-5,7H
InChIKeyWGKAWUSCEUJHCZ-UHFFFAOYSA-N
MW271.06 g/mol
LogP2.39
Rot. Bonds

About 3-iodo-3H-quinolin-4-one

3-iodo-3H-quinolin-4-one (PubChem CID 67016422) has the molecular formula C9H6INO and a molecular weight of 271.06 g/mol. Its IUPAC name is 3-iodo-3H-quinolin-4-one.

Molecular Properties

Compound Name3-iodo-3H-quinolin-4-one
PubChem CID67016422
Molecular FormulaC9H6INO
Molecular Weight271.06 g/mol
Exact Mass270.95
IUPAC Name3-iodo-3H-quinolin-4-one
SMILESO=C1c2ccccc2N=CC1I
InChIInChI=1S/C9H6INO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h1-5,7H
InChIKeyWGKAWUSCEUJHCZ-UHFFFAOYSA-N
XLogP2.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Cinnolinol
CID 255799
Cinnolin-4-ol hydrochloride
CID 16196864
6-Nitroquinolin-4(3h)-one
CID 287209
Isatogen
CID 192821
2-(3-methylbutyl)-3H-quinolin-4-one
CID 122640658
2-Nonyl-4-quinolone
CID 126421925
3-Iodo-1-methyl-1,4-dihydroquinolin-4-one
CID 101804854
3-acetyl-6-iodo-2-methyl-3H-quinolin-4-one
CID 490041
2-Undecyl-4-quinolone
CID 129677843
2-n-Nonadienyl-4-quinolone
CID 129820298
Indol-3-one
CID 11355497
8aH-acridin-9-one
CID 20695832

Frequently Asked Questions

What is the IUPAC name of 3-iodo-3H-quinolin-4-one?
The IUPAC name of 3-iodo-3H-quinolin-4-one (CID 67016422) is 3-iodo-3H-quinolin-4-one.
What is the SMILES notation for 3-iodo-3H-quinolin-4-one?
The canonical SMILES for 3-iodo-3H-quinolin-4-one is O=C1c2ccccc2N=CC1I.
What is the InChIKey of 3-iodo-3H-quinolin-4-one?
The InChIKey is WGKAWUSCEUJHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h1-5,7H.
What are the key properties of 3-iodo-3H-quinolin-4-one?
3-iodo-3H-quinolin-4-one has a molecular weight of 271.06 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-3H-quinolin-4-one is sourced from PubChem (CID 67016422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).