2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide

C18H14INO3 — CID 143776854

IUPAC2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide
SMILESCOc1ccc2c(C(=O)I)ccc(OCc3ccccc3)c2n1
InChIInChI=1S/C18H14INO3/c1-22-16-10-8-13-14(18(19)21)7-9-15(17(13)20-16)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLHBBOQBOJQKBTF-UHFFFAOYSA-N
MW419.22 g/mol
LogP4.40
Rot. Bonds5

About 2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide

2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide (PubChem CID 143776854) has the molecular formula C18H14INO3 and a molecular weight of 419.22 g/mol. Its IUPAC name is 2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide.

Molecular Properties

Compound Name2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide
PubChem CID143776854
Molecular FormulaC18H14INO3
Molecular Weight419.22 g/mol
Exact Mass419.00
IUPAC Name2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide
SMILESCOc1ccc2c(C(=O)I)ccc(OCc3ccccc3)c2n1
InChIInChI=1S/C18H14INO3/c1-22-16-10-8-13-14(18(19)21)7-9-15(17(13)20-16)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLHBBOQBOJQKBTF-UHFFFAOYSA-N
XLogP4.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.22
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
CID 67364544
2-(6-methoxy-3-phenylmethoxy-2-pyridinyl)ethanamine
CID 118905530
7-fluoro-2-methoxy-8-phenylmethoxyquinoline
CID 68632467
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
ethane;6-phenylmethoxypyridine-2,3-dicarboxylic acid
CID 91075341
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
methyl 1-phenylmethoxybenzo[g]phenanthrene-4-carboxylate
CID 11090467
4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698
bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))
CID 158376040
1-(2-amino-4-phenylmethoxy-1,3-benzoxazol-7-yl)ethanone;hydrochloride
CID 91659246

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide?
The IUPAC name of 2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide (CID 143776854) is 2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide.
What is the SMILES notation for 2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide?
The canonical SMILES for 2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide is COc1ccc2c(C(=O)I)ccc(OCc3ccccc3)c2n1.
What is the InChIKey of 2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide?
The InChIKey is LHBBOQBOJQKBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14INO3/c1-22-16-10-8-13-14(18(19)21)7-9-15(17(13)20-16)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide?
2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide has a molecular weight of 419.22 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-phenylmethoxyquinoline-5-carbonyl iodide is sourced from PubChem (CID 143776854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).