3-iodo-8-phenoxy-1H-quinolin-4-one

C15H10INO2 — CID 102614929

IUPAC3-iodo-8-phenoxy-1H-quinolin-4-one
SMILESO=c1c(I)c[nH]c2c(Oc3ccccc3)cccc12
InChIInChI=1S/C15H10INO2/c16-12-9-17-14-11(15(12)18)7-4-8-13(14)19-10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKeyCZTWDZGRQFXMCH-UHFFFAOYSA-N
MW363.15 g/mol
LogP3.92
Rot. Bonds2

About 3-iodo-8-phenoxy-1H-quinolin-4-one

3-iodo-8-phenoxy-1H-quinolin-4-one (PubChem CID 102614929) has the molecular formula C15H10INO2 and a molecular weight of 363.15 g/mol. Its IUPAC name is 3-iodo-8-phenoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-iodo-8-phenoxy-1H-quinolin-4-one
PubChem CID102614929
Molecular FormulaC15H10INO2
Molecular Weight363.15 g/mol
Exact Mass362.98
IUPAC Name3-iodo-8-phenoxy-1H-quinolin-4-one
SMILESO=c1c(I)c[nH]c2c(Oc3ccccc3)cccc12
InChIInChI=1S/C15H10INO2/c16-12-9-17-14-11(15(12)18)7-4-8-13(14)19-10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKeyCZTWDZGRQFXMCH-UHFFFAOYSA-N
XLogP3.92
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one
CID 139470855
2-iodo-6-phenoxybenzoic acid
CID 139966933
2-methyl-8-phenoxy-1H-quinolin-4-one
CID 43668334
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054
2-ethyl-8-phenoxy-1H-quinolin-4-one
CID 43668337
8-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 28978423
4,11-bis[4-(2-phenylpropan-2-yl)phenoxy]-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788407
N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide
CID 167944942
1,3-diphenoxy-2-phenylbenzene
CID 88611434
1-chloro-3-(2-iodophenoxy)benzene
CID 138106392
1-iodo-2-(4-methoxyphenoxy)benzene
CID 11347944
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453

Frequently Asked Questions

What is the IUPAC name of 3-iodo-8-phenoxy-1H-quinolin-4-one?
The IUPAC name of 3-iodo-8-phenoxy-1H-quinolin-4-one (CID 102614929) is 3-iodo-8-phenoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-iodo-8-phenoxy-1H-quinolin-4-one?
The canonical SMILES for 3-iodo-8-phenoxy-1H-quinolin-4-one is O=c1c(I)c[nH]c2c(Oc3ccccc3)cccc12.
What is the InChIKey of 3-iodo-8-phenoxy-1H-quinolin-4-one?
The InChIKey is CZTWDZGRQFXMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10INO2/c16-12-9-17-14-11(15(12)18)7-4-8-13(14)19-10-5-2-1-3-6-10/h1-9H,(H,17,18).
What are the key properties of 3-iodo-8-phenoxy-1H-quinolin-4-one?
3-iodo-8-phenoxy-1H-quinolin-4-one has a molecular weight of 363.15 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-8-phenoxy-1H-quinolin-4-one is sourced from PubChem (CID 102614929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).