5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one

C9H4ClFINO — CID 107370154

IUPAC5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one
SMILESO=c1c(I)c[nH]c2cc(F)cc(Cl)c12
InChIInChI=1S/C9H4ClFINO/c10-5-1-4(11)2-7-8(5)9(14)6(12)3-13-7/h1-3H,(H,13,14)
InChIKeyRSNYBOAASZSOIH-UHFFFAOYSA-N
MW323.49 g/mol
LogP2.93
Rot. Bonds

About 5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one

5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one (PubChem CID 107370154) has the molecular formula C9H4ClFINO and a molecular weight of 323.49 g/mol. Its IUPAC name is 5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one.

Molecular Properties

Compound Name5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one
PubChem CID107370154
Molecular FormulaC9H4ClFINO
Molecular Weight323.49 g/mol
Exact Mass322.90
IUPAC Name5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one
SMILESO=c1c(I)c[nH]c2cc(F)cc(Cl)c12
InChIInChI=1S/C9H4ClFINO/c10-5-1-4(11)2-7-8(5)9(14)6(12)3-13-7/h1-3H,(H,13,14)
InChIKeyRSNYBOAASZSOIH-UHFFFAOYSA-N
XLogP2.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one
CID 107370151
5-chloro-3-ethyl-7-fluoro-2-methyl-1H-quinolin-4-one
CID 107370190
5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one
CID 107370200
5-chloro-7-fluoro-2-methyl-1H-quinolin-4-one
CID 107370193
2-chloro-3,5-diiodo-1H-pyridin-4-one
CID 135303894
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012
8-chloro-3-iodo-5-methyl-1H-quinolin-4-one
CID 107627877
4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
CID 118991371
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
3-iodo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 102537541
methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 102614566
(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
CID 103427836

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one?
The IUPAC name of 5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one (CID 107370154) is 5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one.
What is the SMILES notation for 5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one?
The canonical SMILES for 5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one is O=c1c(I)c[nH]c2cc(F)cc(Cl)c12.
What is the InChIKey of 5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one?
The InChIKey is RSNYBOAASZSOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFINO/c10-5-1-4(11)2-7-8(5)9(14)6(12)3-13-7/h1-3H,(H,13,14).
What are the key properties of 5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one?
5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one has a molecular weight of 323.49 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one is sourced from PubChem (CID 107370154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).