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

C9H6INO — CID 133059316

IUPAC2-iodo-4H-quinolin-3-one
SMILESO=C1Cc2ccccc2N=C1I
InChIInChI=1S/C9H6INO/c10-9-8(12)5-6-3-1-2-4-7(6)11-9/h1-4H,5H2
InChIKeyGPDIMPAFZJMTJR-UHFFFAOYSA-N
MW271.06 g/mol
LogP2.28
Rot. Bonds

About 2-iodo-4H-quinolin-3-one

2-iodo-4H-quinolin-3-one (PubChem CID 133059316) has the molecular formula C9H6INO and a molecular weight of 271.06 g/mol. Its IUPAC name is 2-iodo-4H-quinolin-3-one.

Molecular Properties

Compound Name2-iodo-4H-quinolin-3-one
PubChem CID133059316
Molecular FormulaC9H6INO
Molecular Weight271.06 g/mol
Exact Mass270.95
IUPAC Name2-iodo-4H-quinolin-3-one
SMILESO=C1Cc2ccccc2N=C1I
InChIInChI=1S/C9H6INO/c10-9-8(12)5-6-3-1-2-4-7(6)11-9/h1-4H,5H2
InChIKeyGPDIMPAFZJMTJR-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-oxo-4H-quinolin-2-yl) hydrogen sulfate
CID 88541973
2-fluoro-3H-indole
CID 174790270
CID 20813056
CID 20813056
methylsulfonyl 3-oxo-4H-quinoline-2-carboxylate;hydrate
CID 141075660
3H-indole-2-carbonitrile
CID 66725406
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
acetic acid;2-methyl-3H-indole
CID 123241059
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
pentafluoro(3H-indol-2-yl)-λ6-sulfane
CID 158591346
benzene;ethane;2-phenyl-3H-indole
CID 91573421
1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine
CID 59163627
1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine
CID 170003747

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4H-quinolin-3-one?
The IUPAC name of 2-iodo-4H-quinolin-3-one (CID 133059316) is 2-iodo-4H-quinolin-3-one.
What is the SMILES notation for 2-iodo-4H-quinolin-3-one?
The canonical SMILES for 2-iodo-4H-quinolin-3-one is O=C1Cc2ccccc2N=C1I.
What is the InChIKey of 2-iodo-4H-quinolin-3-one?
The InChIKey is GPDIMPAFZJMTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO/c10-9-8(12)5-6-3-1-2-4-7(6)11-9/h1-4H,5H2.
What are the key properties of 2-iodo-4H-quinolin-3-one?
2-iodo-4H-quinolin-3-one has a molecular weight of 271.06 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4H-quinolin-3-one is sourced from PubChem (CID 133059316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).