7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde

C17H11FINO2 — CID 22987158

IUPAC7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde
SMILESO=Cc1cc2cc(OCc3ccccc3)c(F)cc2nc1I
InChIInChI=1S/C17H11FINO2/c18-14-8-15-12(6-13(9-21)17(19)20-15)7-16(14)22-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyBDFORZSIIDJVGI-UHFFFAOYSA-N
MW407.18 g/mol
LogP4.37
Rot. Bonds4

About 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde

7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde (PubChem CID 22987158) has the molecular formula C17H11FINO2 and a molecular weight of 407.18 g/mol. Its IUPAC name is 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde
PubChem CID22987158
Molecular FormulaC17H11FINO2
Molecular Weight407.18 g/mol
Exact Mass406.98
IUPAC Name7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde
SMILESO=Cc1cc2cc(OCc3ccccc3)c(F)cc2nc1I
InChIInChI=1S/C17H11FINO2/c18-14-8-15-12(6-13(9-21)17(19)20-15)7-16(14)22-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyBDFORZSIIDJVGI-UHFFFAOYSA-N
XLogP4.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.18
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde 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

4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde
CID 146034992
2-phenylmethoxy-4-(phenylmethoxymethyl)benzaldehyde
CID 59839615
2,4-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
8-phenylmethoxypyrene-1-carbaldehyde
CID 19738636
5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599822
2-ethenyl-3-phenylmethoxynaphthalene
CID 102243769
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde?
The IUPAC name of 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde (CID 22987158) is 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde?
The canonical SMILES for 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde is O=Cc1cc2cc(OCc3ccccc3)c(F)cc2nc1I.
What is the InChIKey of 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde?
The InChIKey is BDFORZSIIDJVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FINO2/c18-14-8-15-12(6-13(9-21)17(19)20-15)7-16(14)22-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde?
7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde has a molecular weight of 407.18 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-iodo-6-phenylmethoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 22987158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).