6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline

C16H12FIN2O2 — CID 177201474

IUPAC6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline
SMILESCOc1ccc(COc2cnnc3c(I)cc(F)cc23)cc1
InChIInChI=1S/C16H12FIN2O2/c1-21-12-4-2-10(3-5-12)9-22-15-8-19-20-16-13(15)6-11(17)7-14(16)18/h2-8H,9H2,1H3
InChIKeyHYXOUQLHROYLLU-UHFFFAOYSA-N
MW410.19 g/mol
LogP3.96
Rot. Bonds4

About 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline

6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline (PubChem CID 177201474) has the molecular formula C16H12FIN2O2 and a molecular weight of 410.19 g/mol. Its IUPAC name is 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline.

Molecular Properties

Compound Name6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline
PubChem CID177201474
Molecular FormulaC16H12FIN2O2
Molecular Weight410.19 g/mol
Exact Mass409.99
IUPAC Name6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline
SMILESCOc1ccc(COc2cnnc3c(I)cc(F)cc23)cc1
InChIInChI=1S/C16H12FIN2O2/c1-21-12-4-2-10(3-5-12)9-22-15-8-19-20-16-13(15)6-11(17)7-14(16)18/h2-8H,9H2,1H3
InChIKeyHYXOUQLHROYLLU-UHFFFAOYSA-N
XLogP3.96
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.19
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Cinnolinyl methyl ether
CID 292501
5-Fluoro-4-prop-2-ynoxycinnoline
CID 177851022
4-(Cinnolin-4-yloxymethyl)benzonitrile
CID 8098224
4-Prop-2-enoxycinnoline
CID 135060412
4-Phenoxycinnoline
CID 21991035
4-(Benzyloxy)-6-(trifluoromethyl)cinnoline
CID 68003671
(7-Methoxycinnolin-4-yl) hypofluorite
CID 70285945
8-(Cyclopropylmethoxy)-4-ethyl-7-fluorocinnoline
CID 146353001
6-Fluoro-4-[(4-methoxyphenyl)methoxy]-8-(trifluoromethyl)cinnoline
CID 177201378
3-Iodo-4-phenoxycinnoline
CID 12908785
8-Methyl-4-phenoxycinnoline
CID 86018673
(4-Phenoxycinnolin-6-yl)-phenyldiazene
CID 86018683

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline?
The IUPAC name of 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline (CID 177201474) is 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline.
What is the SMILES notation for 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline?
The canonical SMILES for 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline is COc1ccc(COc2cnnc3c(I)cc(F)cc23)cc1.
What is the InChIKey of 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline?
The InChIKey is HYXOUQLHROYLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FIN2O2/c1-21-12-4-2-10(3-5-12)9-22-15-8-19-20-16-13(15)6-11(17)7-14(16)18/h2-8H,9H2,1H3.
What are the key properties of 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline?
6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline has a molecular weight of 410.19 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-iodo-4-[(4-methoxyphenyl)methoxy]cinnoline is sourced from PubChem (CID 177201474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).